 Entering Gaussian System, Link 0=g16
 Input=22_phenylethanamine_conformer01_STD_B3LYPDBJ_augccpVDZ.in
 Output=22_phenylethanamine_conformer01_STD_B3LYPDBJ_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/Gau-81649.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     81659.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=22_phenylethanamine_conformer01_STD_B3LYPDBJ_augccpVDZ
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 19:44:00 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "22_phenylethanamine_conformer01_STD_B3LYPDBJ_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.111307000000     -1.069417000000     -0.102024000000
  C                                                 0.734884000000     -1.260349000000     -0.166437000000
  C                                                -0.144890000000     -0.185381000000     -0.068831000000
  C                                                 0.388544000000      1.093690000000      0.095425000000
  C                                                 1.760545000000      1.291465000000      0.161002000000
  C                                                 2.628739000000      0.208429000000      0.062356000000
  C                                                -1.647711000000     -0.410794000000     -0.128779000000
  N                                                -2.350691000000      0.384938000000     -1.140870000000
  C                                                -2.300778000000     -0.170753000000      1.231094000000
  H                                                -1.882449000000      0.311028000000     -2.037050000000
  H                                                -1.804291000000     -1.459889000000     -0.395933000000
  H                                                -1.843351000000     -0.797458000000      1.996908000000
  H                                                -3.367500000000     -0.390246000000      1.178808000000
  H                                                -2.178114000000      0.871199000000      1.538101000000
  H                                                -0.274240000000      1.947756000000      0.170051000000
  H                                                 2.155180000000      2.291537000000      0.289393000000
  H                                                 3.698964000000      0.362116000000      0.110832000000
  H                                                 2.777726000000     -1.918812000000     -0.183587000000
  H                                                 0.336513000000     -2.260101000000     -0.296821000000
  H                                                -2.347436000000      1.366960000000     -0.887454000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          14          12           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  14.0030740  12.0000000   1.0078250
 NucSpn=           0           0           0           0           0           0           0           2           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   4.5500000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   7.0000000   6.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 19:44:00 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.111307   -1.069417   -0.102024
      2          6           0        0.734884   -1.260349   -0.166437
      3          6           0       -0.144890   -0.185381   -0.068831
      4          6           0        0.388544    1.093690    0.095425
      5          6           0        1.760545    1.291465    0.161002
      6          6           0        2.628739    0.208429    0.062356
      7          6           0       -1.647711   -0.410794   -0.128779
      8          7           0       -2.350691    0.384938   -1.140870
      9          6           0       -2.300778   -0.170753    1.231094
     10          1           0       -1.882449    0.311028   -2.037050
     11          1           0       -1.804291   -1.459889   -0.395933
     12          1           0       -1.843351   -0.797458    1.996908
     13          1           0       -3.367500   -0.390246    1.178808
     14          1           0       -2.178114    0.871199    1.538101
     15          1           0       -0.274240    1.947756    0.170051
     16          1           0        2.155180    2.291537    0.289393
     17          1           0        3.698964    0.362116    0.110832
     18          1           0        2.777726   -1.918812   -0.183587
     19          1           0        0.336513   -2.260101   -0.296821
     20          1           0       -2.347436    1.366960   -0.887454
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.391095   0.000000
     3  C    2.423437   1.392510   0.000000
     4  C    2.772351   2.393747   1.395548   0.000000
     5  C    2.401246   2.769648   2.421689   1.387733   0.000000
     6  C    1.388397   2.407559   2.804517   2.408994   1.391567
     7  C    3.816375   2.529806   1.520814   2.541668   3.820716
     8  N    4.806639   3.630050   2.517953   3.087744   4.406691
     9  C    4.695881   3.515047   2.517513   3.181354   4.447193
    10  H    4.647584   3.580342   2.671969   3.212074   4.366245
    11  H    3.945980   2.557322   2.117777   3.401577   4.537420
    12  H    4.485398   3.397297   2.743481   3.489045   4.552166
    13  H    5.667374   4.404125   3.461761   4.181346   5.491896
    14  H    4.985492   3.991805   2.798677   2.952719   4.193574
    15  H    3.855929   3.379866   2.150365   1.083642   2.138025
    16  H    3.383954   3.852391   3.399084   2.143237   1.082758
    17  H    2.148313   3.390434   3.886804   3.390327   2.150273
    18  H    1.082700   2.146409   3.399947   3.855024   3.385155
    19  H    2.146059   1.084068   2.142006   3.377052   3.853711
    20  H    5.141325   4.113796   2.816224   2.919985   4.240338
                    6          7          8          9         10
     6  C    0.000000
     7  C    4.325274   0.000000
     8  N    5.125781   1.466867   0.000000
     9  C    5.080341   1.527537   2.436698   0.000000
    10  H    4.976831   2.053686   1.013830   3.329846   0.000000
    11  H    4.758684   1.093841   2.063219   2.134382   2.415682
    12  H    4.975328   2.169408   3.391328   1.090170   4.183669
    13  H    6.128602   2.160528   2.648720   1.090324   3.610942
    14  H    5.071777   2.168714   2.728208   1.093144   3.630828
    15  H    3.385874   2.745629   2.910767   3.117812   3.183789
    16  H    2.148288   4.683956   5.097416   5.177377   5.063319
    17  H    1.082290   5.407563   6.177832   6.126650   5.980650
    18  H    2.146588   4.675641   5.703009   5.554119   5.488601
    19  H    3.387765   2.717594   3.863899   3.695295   3.816136
    20  H    5.196792   2.055629   1.014198   2.618202   1.628735
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.483149   0.000000
    13  H    2.463243   1.777115   0.000000
    14  H    3.051918   1.762665   1.770586   0.000000
    15  H    3.778020   3.651810   4.006507   2.579781   0.000000
    16  H    5.497297   5.333456   6.203468   4.728009   2.456524
    17  H    5.819135   5.968178   7.186204   6.069292   4.278330
    18  H    4.609835   5.231285   6.477379   5.942114   4.938614
    19  H    2.287620   3.486018   4.403811   4.415351   4.277505
    20  H    2.920218   3.641202   2.897886   2.481485   2.398704
                   16         17         18         19         20
    16  H    0.000000
    17  H    2.477462   0.000000
    18  H    4.282326   2.477498   0.000000
    19  H    4.936457   4.283489   2.467554   0.000000
    20  H    4.744825   6.210092   6.128541   4.550604   0.000000
 Stoichiometry    C8H11N
 Framework group  C1[X(C8H11N)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.111307   -1.069417   -0.102024
      2          6           0        0.734884   -1.260349   -0.166437
      3          6           0       -0.144890   -0.185381   -0.068831
      4          6           0        0.388544    1.093690    0.095425
      5          6           0        1.760545    1.291465    0.161002
      6          6           0        2.628739    0.208429    0.062356
      7          6           0       -1.647711   -0.410794   -0.128779
      8          7           0       -2.350691    0.384938   -1.140870
      9          6           0       -2.300778   -0.170753    1.231094
     10          1           0       -1.882449    0.311028   -2.037050
     11          1           0       -1.804291   -1.459889   -0.395933
     12          1           0       -1.843351   -0.797458    1.996908
     13          1           0       -3.367500   -0.390246    1.178808
     14          1           0       -2.178114    0.871199    1.538101
     15          1           0       -0.274240    1.947756    0.170051
     16          1           0        2.155180    2.291537    0.289393
     17          1           0        3.698964    0.362116    0.110832
     18          1           0        2.777726   -1.918812   -0.183587
     19          1           0        0.336513   -2.260101   -0.296821
     20          1           0       -2.347436    1.366960   -0.887454
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4368554           1.0875586           0.9903475
 Leave Link  202 at Thu Aug 12 19:44:00 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      10     11     12     13     14     15     16     17     18     19
 Centers:      20
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      9
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  27 primitive shells out of 340 were deleted.
 There are   324 symmetry adapted cartesian basis functions of A   symmetry.
 There are   306 symmetry adapted basis functions of A   symmetry.
   306 basis functions,   555 primitive gaussians,   324 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.1332285289 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0347911612 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.0984373677 Hartrees.
 Leave Link  301 at Thu Aug 12 19:44:02 2021, MaxMem=  5368709120 cpu:              12.5 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   306 RedAO= T EigKep=  1.77D-06  NBF=   306
 NBsUse=   306 1.00D-06 EigRej= -1.00D+00 NBFU=   306
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   324   324   324   324   324 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Thu Aug 12 19:44:03 2021, MaxMem=  5368709120 cpu:               3.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 19:44:03 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "22_phenylethanamine_conformer01_STD_B3LYPDBJ_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 19:44:03 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368493398 LenY=  5368387981
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -366.300083908702    
 DIIS: error= 2.26D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -366.300083908702     IErMin= 1 ErrMin= 2.26D-03
 ErrMax= 2.26D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.61D-03 BMatP= 4.61D-03
 IDIUse=3 WtCom= 9.77D-01 WtEn= 2.26D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.221 Goal=   None    Shift=    0.000
 GapD=    0.221 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.14D-02 MaxDP=4.52D+00              OVMax= 2.11D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.31D-02    CP:  2.00D+00
 E= -366.304417639238     Delta-E=       -0.004333730536 Rises=F Damp=F
 DIIS: error= 2.04D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -366.304417639238     IErMin= 2 ErrMin= 2.04D-04
 ErrMax= 2.04D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.12D-05 BMatP= 4.61D-03
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.04D-03
 Coeff-Com:  0.195D-02 0.998D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.194D-02 0.998D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=3.03D-03 MaxDP=1.74D-01 DE=-4.33D-03 OVMax= 3.65D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.68D-04    CP:  2.03D+00  1.04D+00
 E= -366.304428059725     Delta-E=       -0.000010420486 Rises=F Damp=F
 DIIS: error= 2.15D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -366.304428059725     IErMin= 2 ErrMin= 2.04D-04
 ErrMax= 2.15D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.91D-05 BMatP= 3.12D-05
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.15D-03
 Coeff-Com: -0.706D-02 0.492D+00 0.515D+00
 Coeff-En:   0.000D+00 0.409D+00 0.591D+00
 Coeff:     -0.704D-02 0.492D+00 0.515D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=2.40D-04 MaxDP=8.72D-03 DE=-1.04D-05 OVMax= 1.96D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.45D-04    CP:  2.04D+00  1.04D+00  9.00D-01
 E= -366.304457752411     Delta-E=       -0.000029692687 Rises=F Damp=F
 DIIS: error= 5.82D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -366.304457752411     IErMin= 4 ErrMin= 5.82D-05
 ErrMax= 5.82D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.77D-06 BMatP= 2.91D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.385D-02 0.137D+00 0.266D+00 0.601D+00
 Coeff:     -0.385D-02 0.137D+00 0.266D+00 0.601D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=6.74D-05 MaxDP=3.15D-03 DE=-2.97D-05 OVMax= 8.59D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.49D-05    CP:  2.04D+00  1.04D+00  9.10D-01  9.36D-01
 E= -366.304460075507     Delta-E=       -0.000002323096 Rises=F Damp=F
 DIIS: error= 2.84D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -366.304460075507     IErMin= 5 ErrMin= 2.84D-05
 ErrMax= 2.84D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.43D-07 BMatP= 2.77D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.142D-02 0.254D-01 0.110D+00 0.385D+00 0.480D+00
 Coeff:     -0.142D-02 0.254D-01 0.110D+00 0.385D+00 0.480D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.84D-05 MaxDP=8.00D-04 DE=-2.32D-06 OVMax= 3.54D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.28D-05    CP:  2.04D+00  1.04D+00  9.18D-01  9.40D-01  7.81D-01
 E= -366.304460810867     Delta-E=       -0.000000735360 Rises=F Damp=F
 DIIS: error= 4.74D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -366.304460810867     IErMin= 6 ErrMin= 4.74D-06
 ErrMax= 4.74D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.05D-08 BMatP= 6.43D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.296D-03-0.203D-03 0.290D-01 0.121D+00 0.220D+00 0.630D+00
 Coeff:     -0.296D-03-0.203D-03 0.290D-01 0.121D+00 0.220D+00 0.630D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.11D-06 MaxDP=1.66D-04 DE=-7.35D-07 OVMax= 5.32D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.53D-06    CP:  2.04D+00  1.04D+00  9.20D-01  9.40D-01  8.12D-01
                    CP:  9.98D-01
 E= -366.304460830289     Delta-E=       -0.000000019422 Rises=F Damp=F
 DIIS: error= 1.89D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -366.304460830289     IErMin= 7 ErrMin= 1.89D-06
 ErrMax= 1.89D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.18D-09 BMatP= 2.05D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.663D-04-0.222D-02 0.617D-02 0.317D-01 0.797D-01 0.346D+00
 Coeff-Com:  0.539D+00
 Coeff:     -0.663D-04-0.222D-02 0.617D-02 0.317D-01 0.797D-01 0.346D+00
 Coeff:      0.539D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=9.61D-07 MaxDP=5.22D-05 DE=-1.94D-08 OVMax= 1.35D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.31D-07    CP:  2.04D+00  1.04D+00  9.20D-01  9.42D-01  8.09D-01
                    CP:  1.00D+00  9.00D-01
 E= -366.304460833148     Delta-E=       -0.000000002859 Rises=F Damp=F
 DIIS: error= 3.85D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -366.304460833148     IErMin= 8 ErrMin= 3.85D-07
 ErrMax= 3.85D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-10 BMatP= 3.18D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.180D-04-0.825D-03-0.979D-03-0.136D-02 0.684D-02 0.601D-01
 Coeff-Com:  0.204D+00 0.733D+00
 Coeff:      0.180D-04-0.825D-03-0.979D-03-0.136D-02 0.684D-02 0.601D-01
 Coeff:      0.204D+00 0.733D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=5.60D-07 MaxDP=3.31D-05 DE=-2.86D-09 OVMax= 4.47D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.18D-07    CP:  2.04D+00  1.04D+00  9.20D-01  9.43D-01  8.10D-01
                    CP:  1.01D+00  9.17D-01  9.66D-01
 E= -366.304460833243     Delta-E=       -0.000000000095 Rises=F Damp=F
 DIIS: error= 1.33D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -366.304460833243     IErMin= 9 ErrMin= 1.33D-07
 ErrMax= 1.33D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.32D-11 BMatP= 1.32D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.104D-04-0.338D-03-0.693D-03-0.171D-02 0.927D-03 0.191D-01
 Coeff-Com:  0.799D-01 0.364D+00 0.538D+00
 Coeff:      0.104D-04-0.338D-03-0.693D-03-0.171D-02 0.927D-03 0.191D-01
 Coeff:      0.799D-01 0.364D+00 0.538D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=9.70D-08 MaxDP=5.47D-06 DE=-9.50D-11 OVMax= 1.94D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  8.12D-08    CP:  2.04D+00  1.04D+00  9.20D-01  9.43D-01  8.11D-01
                    CP:  1.01D+00  9.22D-01  9.79D-01  9.67D-01
 E= -366.304460833242     Delta-E=        0.000000000001 Rises=F Damp=F
 DIIS: error= 6.92D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -366.304460833243     IErMin=10 ErrMin= 6.92D-08
 ErrMax= 6.92D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.66D-12 BMatP= 1.32D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.341D-05-0.773D-04-0.279D-03-0.878D-03-0.532D-03 0.243D-02
 Coeff-Com:  0.157D-01 0.109D+00 0.330D+00 0.545D+00
 Coeff:      0.341D-05-0.773D-04-0.279D-03-0.878D-03-0.532D-03 0.243D-02
 Coeff:      0.157D-01 0.109D+00 0.330D+00 0.545D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=4.46D-08 MaxDP=2.04D-06 DE= 7.96D-13 OVMax= 8.26D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  2.28D-08    CP:  2.04D+00  1.04D+00  9.20D-01  9.43D-01  8.11D-01
                    CP:  1.01D+00  9.25D-01  9.74D-01  9.69D-01  7.31D-01
 E= -366.304460833248     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 1.41D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -366.304460833248     IErMin=11 ErrMin= 1.41D-08
 ErrMax= 1.41D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.82D-13 BMatP= 2.66D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.575D-06-0.290D-05-0.539D-04-0.223D-03-0.296D-03-0.529D-03
 Coeff-Com: -0.109D-02 0.137D-01 0.105D+00 0.273D+00 0.610D+00
 Coeff:      0.575D-06-0.290D-05-0.539D-04-0.223D-03-0.296D-03-0.529D-03
 Coeff:     -0.109D-02 0.137D-01 0.105D+00 0.273D+00 0.610D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=1.19D-08 MaxDP=4.80D-07 DE=-5.91D-12 OVMax= 1.67D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  6.95D-09    CP:  2.04D+00  1.04D+00  9.20D-01  9.43D-01  8.11D-01
                    CP:  1.01D+00  9.24D-01  9.78D-01  9.73D-01  7.50D-01
                    CP:  6.77D-01
 E= -366.304460833262     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 3.78D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -366.304460833262     IErMin=12 ErrMin= 3.78D-09
 ErrMax= 3.78D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.36D-14 BMatP= 1.82D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.590D-07 0.387D-05-0.885D-05-0.594D-04-0.130D-03-0.484D-03
 Coeff-Com: -0.178D-02-0.138D-02 0.284D-01 0.958D-01 0.303D+00 0.577D+00
 Coeff:      0.590D-07 0.387D-05-0.885D-05-0.594D-04-0.130D-03-0.484D-03
 Coeff:     -0.178D-02-0.138D-02 0.284D-01 0.958D-01 0.303D+00 0.577D+00
 Gap=     0.221 Goal=   None    Shift=    0.000
 RMSDP=2.22D-09 MaxDP=9.77D-08 DE=-1.33D-11 OVMax= 2.65D-08

 SCF Done:  E(RB3LYP) =  -366.304460833     A.U. after   12 cycles
            NFock= 12  Conv=0.22D-08     -V/T= 2.0061
 KE= 3.640866214392D+02 PE=-1.699405526153D+03 EE= 5.439160065125D+02
 Leave Link  502 at Thu Aug 12 19:45:42 2021, MaxMem=  5368709120 cpu:             787.4 elap:              98.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   306
 NBasis=   306 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    306 NOA=    33 NOB=    33 NVA=   273 NVB=   273

 **** Warning!!: The largest alpha MO coefficient is  0.10979224D+03

 Leave Link  801 at Thu Aug 12 19:45:42 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6185 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.50D-13 8.33D-09 XBig12= 1.00D+00 4.93D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.50D-13 8.33D-09 XBig12= 4.25D-01 1.16D-01.
     11 vectors produced by pass  2 Test12= 1.50D-13 8.33D-09 XBig12= 6.03D-02 5.63D-02.
     11 vectors produced by pass  3 Test12= 1.50D-13 8.33D-09 XBig12= 7.13D-03 1.73D-02.
     11 vectors produced by pass  4 Test12= 1.50D-13 8.33D-09 XBig12= 9.39D-04 1.01D-02.
     11 vectors produced by pass  5 Test12= 1.50D-13 8.33D-09 XBig12= 3.84D-05 9.55D-04.
     11 vectors produced by pass  6 Test12= 1.50D-13 8.33D-09 XBig12= 7.48D-07 1.61D-04.
     11 vectors produced by pass  7 Test12= 1.50D-13 8.33D-09 XBig12= 8.55D-09 1.54D-05.
     10 vectors produced by pass  8 Test12= 1.50D-13 8.33D-09 XBig12= 1.15D-10 1.24D-06.
      7 vectors produced by pass  9 Test12= 1.50D-13 8.33D-09 XBig12= 9.23D-13 1.28D-07.
      2 vectors produced by pass 10 Test12= 1.50D-13 8.33D-09 XBig12= 1.22D-14 1.08D-08.
      1 vectors produced by pass 11 Test12= 1.50D-13 8.33D-09 XBig12= 1.45D-14 1.38D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.141051D+03
      2 -0.362930D+00  0.110565D+03
      3  0.120320D+01  0.253728D+01  0.800036D+02
 Isotropic polarizability for W=    0.085645      110.54 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.661927D+02  0.478553D+00 -0.507396D-01
      2  -0.960016D+01  0.317949D+00 -0.486492D+01
      3  -0.565926D+02 -0.796501D+00  0.491566D+01
      4   0.324425D+01  0.775591D+02  0.190646D+02
      5   0.920500D+01  0.190049D+02 -0.473286D+02
      6   0.773287D+01  0.691399D+01  0.327298D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.636406D+00  0.262863D+01  0.191852D+01
      2   0.671311D+00  0.855222D+01 -0.184815D+02
      3  -0.556462D+01 -0.373067D+02 -0.863620D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.596878D-01  0.117789D+02 -0.112380D+01
      2  -0.925574D+01  0.113318D+02  0.926398D+01
      3   0.276570D+01 -0.871593D+02 -0.112721D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.569135D-01 -0.509589D+00  0.111676D+01
      2  -0.509589D+00 -0.180336D+01  0.421013D+01
      3   0.111676D+01  0.421013D+01  0.113989D+01
 OR G Eigenvalues:    -5.0208     0.0809     4.2195  Iso=     0.2401
 Eigenvectors:
   (1)   0.210863   0.788832  -0.577305
   (2)   0.966446  -0.256863   0.002020
   (3)   0.146695   0.558360   0.816526
 w=    0.085645 a.u., Optical Rotation Beta=      0.2401 au.
 Molar Mass =    121.1816 grams/mole, [Alpha] ( 5320.0 A) =       93.98 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   46971 ScalPx= 2.13D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 5.04D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.50D-14 2.78D-09 XBig12= 1.00D+00 4.70D-01.
     30 vectors produced by pass  1 Test12= 2.50D-14 2.78D-09 XBig12= 2.67D-02 4.66D-02.
     30 vectors produced by pass  2 Test12= 2.50D-14 2.78D-09 XBig12= 6.55D-04 7.42D-03.
     30 vectors produced by pass  3 Test12= 2.50D-14 2.78D-09 XBig12= 1.08D-05 4.02D-04.
     30 vectors produced by pass  4 Test12= 2.50D-14 2.78D-09 XBig12= 9.19D-08 3.79D-05.
     30 vectors produced by pass  5 Test12= 2.50D-14 2.78D-09 XBig12= 3.43D-10 1.85D-06.
     29 vectors produced by pass  6 Test12= 2.50D-14 2.78D-09 XBig12= 6.18D-13 9.16D-08.
      6 vectors produced by pass  7 Test12= 2.50D-14 2.78D-09 XBig12= 3.57D-15 8.04D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.55D-15
 Solved reduced A of dimension   215 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 9.60D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   46971 ScalPx= 9.60D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   46971 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.50D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.141051D+03 -0.362930D+00  0.120320D+01
      2  -0.362930D+00  0.110565D+03  0.253728D+01
      3   0.120320D+01  0.253728D+01  0.800036D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.636406D+00  0.262863D+01  0.191852D+01
      2   0.671311D+00  0.855222D+01 -0.184815D+02
      3  -0.556462D+01 -0.373067D+02 -0.863620D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.661927D+02  0.478553D+00 -0.507396D-01
      2  -0.960016D+01  0.317949D+00 -0.486492D+01
      3  -0.565926D+02 -0.796501D+00  0.491566D+01
      4   0.324425D+01  0.775591D+02  0.190646D+02
      5   0.920500D+01  0.190049D+02 -0.473286D+02
      6   0.773287D+01  0.691399D+01  0.327298D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.410212D+01 -0.791338D+00 -0.455752D+00 -0.662112D+01 -0.115689D+01
      2  -0.791338D+00  0.374429D+01  0.331677D+00 -0.115689D+01 -0.385836D+00
      3  -0.455752D+00  0.331677D+00  0.176488D+01 -0.531961D+00  0.677238D+00
                 6             7             8             9            10 
      1  -0.531961D+00 -0.151222D+01 -0.403283D+00  0.306070D+01  0.757380D+01
      2   0.677238D+00 -0.403283D+00  0.114400D+01 -0.375370D+01  0.278627D+01
      3  -0.247430D+01  0.306070D+01 -0.375370D+01 -0.107653D+01  0.107776D+01
                11            12            13            14            15 
      1   0.278627D+01  0.107776D+01 -0.891619D+01 -0.112958D+00 -0.277866D+00
      2  -0.300048D+01  0.129752D-01 -0.112958D+00 -0.149252D+01  0.670904D+00
      3   0.129752D-01 -0.121369D+01 -0.277866D+00  0.670904D+00 -0.273897D+01
                16            17            18            19            20 
      1  -0.121047D+01  0.700066D+00 -0.161064D+01 -0.211363D+02 -0.121622D+01
      2   0.700066D+00  0.690674D+00 -0.412567D+01 -0.121622D+01 -0.194539D+01
      3  -0.161064D+01 -0.412567D+01 -0.153765D+01 -0.862891D+00  0.147503D+00
                21            22            23            24            25 
      1  -0.862891D+00 -0.153763D+01  0.192151D+01  0.105592D+01 -0.705484D+00
      2   0.147503D+00  0.192151D+01 -0.611803D+00 -0.657758D-01  0.662795D+00
      3  -0.293335D+01  0.105592D+01 -0.657758D-01  0.425346D+00 -0.438407D+01
                26            27            28            29            30 
      1   0.662795D+00 -0.438407D+01  0.540891D+01 -0.698618D+00  0.712236D+00
      2  -0.408808D+00 -0.461321D+00 -0.698618D+00 -0.411226D+01 -0.396726D+00
      3  -0.461321D+00 -0.109928D-01  0.712236D+00 -0.396726D+00 -0.182676D+01
                31            32            33            34            35 
      1   0.973218D+01 -0.158411D+00  0.550071D+00  0.138845D+01  0.626452D-01
      2  -0.158411D+00  0.788789D+00 -0.554107D+00  0.626452D-01 -0.867542D+00
      3   0.550071D+00 -0.554107D+00  0.199550D+01 -0.178920D+01  0.324614D+01
                36            37            38            39            40 
      1  -0.178920D+01 -0.658047D+01 -0.940413D+00 -0.709927D+00  0.672479D+01
      2   0.324614D+01 -0.940413D+00  0.239559D+01  0.608836D-01  0.356827D-01
      3   0.832185D+00 -0.709927D+00  0.608836D-01  0.798695D+00  0.503736D-01
                41            42            43            44            45 
      1   0.356827D-01  0.503736D-01  0.470467D+00 -0.397797D+00  0.214524D+01
      2   0.107850D+01 -0.799552D+00 -0.397797D+00 -0.717991D+00  0.432850D+01
      3  -0.799552D+00  0.281417D+01  0.214524D+01  0.432850D+01  0.145960D+01
                46            47            48            49            50 
      1   0.789271D+01  0.363404D+00  0.211446D+00  0.411860D+00 -0.823414D+00
      2   0.363404D+00  0.344826D+01 -0.112357D-01 -0.823414D+00 -0.213704D+00
      3   0.211446D+00 -0.112357D-01  0.355332D+01 -0.104447D+01 -0.134129D+00
                51            52            53            54            55 
      1  -0.104447D+01 -0.173734D+00 -0.750410D+00  0.588363D+01  0.423453D+01
      2  -0.134129D+00 -0.750410D+00 -0.536589D-01  0.710828D+00 -0.562441D-01
      3   0.421342D+00  0.588363D+01  0.710828D+00  0.724133D+00 -0.110844D+01
                56            57            58            59            60 
      1  -0.562441D-01 -0.110844D+01 -0.593266D+01  0.129824D+01 -0.200033D+01
      2  -0.526303D+00 -0.978873D+00  0.129824D+01  0.689893D+01  0.238169D+01
      3  -0.978873D+00  0.365496D+01 -0.200033D+01  0.238169D+01 -0.173431D+01
                61            62            63            64            65 
      1   0.730797D+00 -0.112933D+01  0.734407D+01 -0.156921D+01  0.107628D+01
      2  -0.112933D+01  0.149241D+01 -0.284497D+00  0.107628D+01  0.525646D+00
      3   0.734407D+01 -0.284497D+00 -0.209438D+01 -0.454076D+00  0.100688D+01
                66            67            68            69            70 
      1  -0.454076D+00  0.480536D+01 -0.137696D+01  0.904740D+00 -0.297650D+01
      2   0.100688D+01 -0.137696D+01 -0.514767D+01 -0.146110D+01  0.644689D+00
      3  -0.447840D+01  0.904740D+00 -0.146110D+01  0.552430D+00 -0.573332D+01
                71            72            73            74            75 
      1   0.644689D+00 -0.573332D+01  0.917614D+01  0.222369D+01 -0.789896D+00
      2  -0.506137D+00  0.707863D-01  0.222369D+01 -0.103835D+01  0.764994D+00
      3   0.707863D-01  0.289062D+01 -0.789896D+00  0.764994D+00 -0.402215D+01
                76            77            78            79            80 
      1   0.377987D+01 -0.648893D+00  0.628933D+00  0.485702D+01  0.100358D+01
      2  -0.648893D+00 -0.381307D+01 -0.355863D+01  0.100358D+01 -0.264183D+01
      3   0.628933D+00 -0.355863D+01  0.230122D+01 -0.515328D+01  0.137571D+01
                81            82            83            84            85 
      1  -0.515328D+01 -0.403141D+00 -0.110806D+00 -0.734611D+00 -0.997546D+00
      2   0.137571D+01 -0.110806D+00  0.216107D+00 -0.193680D+00 -0.109212D+00
      3   0.110819D+01 -0.734611D+00 -0.193680D+00  0.316099D+01  0.111705D+00
                86            87            88            89            90 
      1  -0.109212D+00  0.111705D+00 -0.206537D+01  0.116437D+00  0.110224D+01
      2   0.541073D-01 -0.852509D+00  0.116437D+00 -0.120815D+01  0.729939D+00
      3  -0.852509D+00 -0.567547D+00  0.110224D+01  0.729939D+00 -0.862706D+01
                91            92            93            94            95 
      1  -0.718680D-02 -0.124705D+01 -0.209218D+00 -0.213640D+01 -0.163761D+01
      2  -0.124705D+01 -0.101870D+01 -0.174492D+00 -0.163761D+01 -0.745240D+01
      3  -0.209218D+00 -0.174492D+00 -0.681944D+00 -0.932167D-01 -0.127006D+01
                96            97            98            99           100 
      1  -0.932167D-01 -0.114716D+00 -0.166432D+00 -0.989062D+00  0.185600D+00
      2  -0.127006D+01 -0.166432D+00 -0.142805D+01 -0.113502D+01 -0.812963D+00
      3  -0.150029D+01 -0.989062D+00 -0.113502D+01 -0.841889D+00  0.861925D+00
               101           102           103           104           105 
      1  -0.812963D+00  0.861925D+00 -0.120944D+01  0.179189D+00 -0.125284D+00
      2   0.896408D+00 -0.865293D+00  0.179189D+00 -0.196803D+01  0.235274D+01
      3  -0.865293D+00  0.240287D+01 -0.125284D+00  0.235274D+01 -0.304366D+01
               106           107           108           109           110 
      1   0.483341D+00 -0.341415D+00  0.496600D+00 -0.142224D+02 -0.171204D+01
      2  -0.341415D+00  0.194512D+01 -0.218131D+01 -0.171204D+01 -0.112866D+01
      3   0.496600D+00 -0.218131D+01  0.525792D+01  0.238953D+01  0.252284D+00
               111           112           113           114           115 
      1   0.238953D+01 -0.260807D+01 -0.156511D+01  0.529877D+00 -0.705832D+00
      2   0.252284D+00 -0.156511D+01 -0.439349D+00  0.575184D+00 -0.627175D-01
      3  -0.164212D+01  0.529877D+00  0.575184D+00 -0.671948D+00 -0.652190D+00
               116           117           118           119           120 
      1  -0.627175D-01 -0.652190D+00 -0.434399D+00  0.579704D+00  0.169545D+00
      2   0.567168D-01 -0.318108D+00  0.579704D+00  0.201768D+00  0.298354D-02
      3  -0.318108D+00  0.755429D-01  0.169545D+00  0.298354D-02  0.720258D+00
               121           122           123           124           125 
      1   0.184809D+01 -0.565196D+00 -0.823969D+00  0.234619D+00 -0.229038D+00
      2  -0.565196D+00  0.548861D+01  0.223206D+01 -0.229038D+00  0.154486D+01
      3  -0.823969D+00  0.223206D+01  0.247593D+01  0.113728D+00  0.108637D+01
               126           127           128           129           130 
      1   0.113728D+00 -0.364972D+01  0.228207D+01  0.876411D-01  0.281753D+01
      2   0.108637D+01  0.228207D+01 -0.250568D+01 -0.187594D+00 -0.296554D+01
      3   0.169943D+01  0.876411D-01 -0.187594D+00 -0.257957D+00 -0.215326D+00
               131           132           133           134           135 
      1  -0.296554D+01 -0.215326D+00  0.246893D+00 -0.343399D+00  0.110135D+00
      2   0.587238D+01  0.477645D+00 -0.343399D+00  0.523873D+00  0.696978D-01
      3   0.477645D+00  0.647738D+00  0.110135D+00  0.696978D-01  0.102648D+00
               136           137           138           139           140 
      1   0.225855D+01  0.271878D+01  0.335414D+00  0.243402D+01  0.412197D+01
      2   0.271878D+01  0.292791D+01  0.377705D+00  0.412197D+01  0.997542D+01
      3   0.335414D+00  0.377705D+00  0.309417D+00  0.542304D+00  0.118174D+01
               141           142           143           144           145 
      1   0.542304D+00  0.609172D+00  0.536157D+00  0.120638D+00  0.134907D+02
      2   0.118174D+01  0.536157D+00  0.124648D+01  0.106923D+00  0.149132D+01
      3   0.870863D+00  0.120638D+00  0.106923D+00  0.110049D+00  0.529781D+00
               146           147           148           149           150 
      1   0.149132D+01  0.529781D+00  0.144479D+01  0.180319D+01  0.259440D+00
      2   0.867901D+00  0.624092D-01  0.180319D+01  0.534262D+00  0.928678D-01
      3   0.624092D-01  0.738156D+00  0.259440D+00  0.928678D-01  0.115625D+00
               151           152           153           154           155 
      1   0.511796D+00  0.251498D+00 -0.143965D+00  0.532252D+01 -0.416736D+01
      2   0.251498D+00  0.340682D-01  0.150342D-01 -0.416736D+01  0.370580D+01
      3  -0.143965D+00  0.150342D-01  0.213670D-01 -0.329585D+00  0.258941D+00
               156           157           158           159           160 
      1  -0.329585D+00 -0.412201D+01  0.480542D+01  0.447982D+00 -0.345174D+00
      2   0.258941D+00  0.480542D+01 -0.685629D+01 -0.618470D+00  0.463380D+00
      3   0.477986D+00  0.447982D+00 -0.618470D+00 -0.686198D+00  0.117960D+00
               161           162           163           164           165 
      1   0.463380D+00  0.117960D+00 -0.145417D+01 -0.174777D+01 -0.236031D+00
      2  -0.790115D+00  0.107575D-01 -0.174777D+01 -0.230872D+01 -0.306657D+00
      3   0.107575D-01 -0.357293D-01 -0.236031D+00 -0.306657D+00 -0.139176D+00
               166           167           168           169           170 
      1  -0.168569D+01 -0.193850D+01 -0.300666D+00  0.930295D-01 -0.369331D+00
      2  -0.193850D+01 -0.912442D+01 -0.103829D+01 -0.369331D+00 -0.119851D+01
      3  -0.300666D+00 -0.103829D+01 -0.851033D+00  0.155195D+00 -0.188190D+00
               171           172           173           174           175 
      1   0.155195D+00 -0.198430D+01 -0.206964D-01 -0.484843D+00  0.176826D+01
      2  -0.188190D+00 -0.206964D-01 -0.134515D+01 -0.164685D+00 -0.110650D+01
      3  -0.880845D-01 -0.484843D+00 -0.164685D+00 -0.385982D+00  0.331739D+00
               176           177           178           179           180 
      1  -0.110650D+01  0.331739D+00  0.183911D+00 -0.248095D+00 -0.194405D+00
      2   0.681409D+01 -0.289443D+00 -0.248095D+00  0.114260D+01  0.697128D+00
      3  -0.289443D+00  0.164811D+01 -0.194405D+00  0.697128D+00  0.306296D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.150017D+01 -0.621210D+00  0.322858D+01 -0.169557D+01 -0.463938D+00
      2   0.434713D+00  0.104192D+01  0.277184D+01  0.149040D-01  0.241936D+01
      3   0.760251D+01 -0.106638D+02 -0.272748D+00  0.101134D+02  0.264775D+01
                 6             7             8             9            10 
      1  -0.235153D+01  0.699705D+01  0.396869D+01  0.435411D+00  0.183860D+01
      2  -0.778597D+01 -0.381849D+01 -0.107230D+02 -0.259506D+01  0.467656D-01
      3  -0.785821D+00  0.624625D+00 -0.180995D+01  0.582974D+01 -0.112640D+02
                11            12            13            14            15 
      1   0.765297D+00 -0.260298D+01  0.491860D+00  0.559554D+00 -0.316864D+01
      2   0.730956D+00 -0.183958D+01  0.246641D+01 -0.469840D+00 -0.110707D+01
      3  -0.351430D+01 -0.179038D+01  0.380669D+01  0.676290D+01 -0.163082D+00
                16            17            18            19            20 
      1  -0.528653D+01  0.514334D+00 -0.679752D+00 -0.228386D+01 -0.253578D+00
      2  -0.119534D+02 -0.235057D+01 -0.114911D+01 -0.274687D+01  0.109421D+00
      3   0.403734D+00 -0.779938D-01  0.607285D+01  0.760990D+01  0.815619D+01
                21            22            23            24            25 
      1  -0.260480D+00 -0.158598D+01 -0.220300D+01  0.110943D+01 -0.851908D+00
      2  -0.208125D+01 -0.109209D+01  0.106717D+01 -0.108863D+01 -0.204160D+02
      3   0.114332D+01  0.224221D+02  0.138720D+01  0.734721D+00 -0.180351D+01
                26            27            28            29            30 
      1   0.107821D+02  0.199060D+01  0.550576D+00 -0.596608D+00  0.356711D+01
      2   0.447577D+00 -0.273540D+01  0.182365D+00  0.230616D+00 -0.143529D+01
      3  -0.452789D+00  0.630781D+00 -0.440627D+01  0.199335D+01  0.315337D+00
                31            32            33            34            35 
      1   0.868659D+00  0.254814D+00 -0.157915D+01  0.750412D+01  0.330432D+01
      2   0.168094D+01  0.190083D+00  0.103411D+01 -0.122624D+02  0.651934D+00
      3  -0.417479D+01 -0.735450D+01 -0.854187D+00 -0.114499D+01  0.104822D+01
                36            37            38            39            40 
      1   0.378696D+00 -0.830021D+00  0.110908D+01 -0.257786D+01  0.784516D+00
      2   0.435326D+00  0.263944D+00  0.117608D+01 -0.269226D+00  0.373959D+00
      3  -0.679752D+01  0.774933D+01 -0.157186D+02 -0.135993D+01  0.395228D+01
                41            42            43            44            45 
      1   0.185641D+00 -0.428789D+01 -0.577650D+01  0.533220D+00 -0.916770D+00
      2  -0.185884D+01  0.678388D+01 -0.852652D+01  0.100322D+02  0.269922D+01
      3  -0.484670D+00  0.148225D+01  0.843299D+00  0.150746D+01 -0.481805D+01
                46            47            48            49            50 
      1   0.740475D+00 -0.254410D+00 -0.114868D+01  0.208054D+00 -0.117154D+01
      2  -0.457050D+00 -0.329405D+00  0.945325D+01 -0.335691D+01 -0.452654D+00
      3  -0.517324D+01 -0.707191D+01  0.348925D-01  0.119401D+02 -0.419340D+01
                51            52            53            54            55 
      1   0.350110D+01 -0.221594D+01  0.118675D+02  0.190062D+01 -0.507129D+00
      2   0.194334D+01  0.967296D+01  0.253216D+01  0.152205D+01  0.667856D+01
      3  -0.373804D-01  0.178607D+01  0.348468D+00 -0.197944D+01 -0.615015D+01
                56            57            58            59            60 
      1  -0.424097D+00  0.270149D+00  0.175372D+01  0.190525D+01 -0.271328D+01
      2   0.154800D+01 -0.471192D+01 -0.386851D+00 -0.610727D+01  0.296270D+01
      3   0.128351D+01 -0.135758D+01  0.125030D+02  0.147709D+02  0.730650D+01
                61            62            63            64            65 
      1   0.188209D+01  0.194598D+01 -0.124446D+01 -0.221683D+00  0.290005D+01
      2  -0.179873D+02  0.567447D+00  0.354319D+01 -0.251200D+01 -0.193023D+01
      3   0.172624D+00  0.665034D+01 -0.528244D+01  0.753822D+01 -0.102188D+02
                66            67            68            69            70 
      1   0.172016D+01 -0.471893D+00  0.896244D+01 -0.213457D+01 -0.544413D+00
      2   0.201844D+02  0.109685D+01  0.266840D+01 -0.380082D+00  0.973465D+01
      3   0.373935D+01 -0.268062D+01 -0.183068D+02 -0.411568D+01  0.168477D+01
                71            72            73            74            75 
      1   0.524063D+01 -0.326946D+01  0.292792D+01 -0.251048D+01  0.620805D+00
      2   0.125866D+01 -0.146155D+02 -0.131358D+02 -0.501473D+01  0.150839D+02
      3  -0.537505D+01 -0.112083D+01  0.608603D+01 -0.745660D+01  0.129954D+01
                76            77            78            79            80 
      1  -0.286018D+00 -0.724331D+01 -0.854427D+01 -0.145762D+01 -0.376490D+01
      2  -0.315194D+01  0.114775D+02 -0.683608D+01  0.982782D+01 -0.467570D+01
      3  -0.100329D+01 -0.128408D+02 -0.114409D+02 -0.640605D+00 -0.107467D+02
                81            82            83            84            85 
      1   0.448228D+01 -0.234361D+00 -0.165520D+01 -0.166680D+01 -0.761638D+00
      2   0.392698D+01  0.484069D+01  0.492289D-01 -0.889511D+01 -0.204005D+01
      3   0.662720D+01 -0.105946D+01  0.856976D+00 -0.318978D+00  0.127264D+01
                86            87            88            89            90 
      1  -0.127309D+00  0.201130D-01 -0.836138D+00  0.295747D+01  0.231210D+01
      2   0.160380D+01  0.140692D+01 -0.956938D+01 -0.213352D+01  0.242400D+02
      3   0.615880D+00 -0.116053D+01 -0.243837D+00 -0.172860D+01  0.394347D+01
                91            92            93            94            95 
      1  -0.230771D+00 -0.107039D+00 -0.800778D+00 -0.396170D+00  0.298577D-01
      2   0.271634D+00  0.273666D+00  0.212528D+01  0.170159D+00  0.287108D+01
      3  -0.387565D+01 -0.285269D+01 -0.282163D+00  0.266059D+01 -0.142174D+02
                96            97            98            99           100 
      1  -0.341223D+01 -0.463955D+00  0.115896D+01 -0.951590D+00 -0.138707D+01
      2   0.309382D+01  0.157999D+00  0.155607D+01  0.168196D+01 -0.425018D+01
      3  -0.317263D+01  0.219999D+00 -0.314462D+01 -0.908126D+00 -0.288106D+01
               101           102           103           104           105 
      1   0.229657D+01 -0.154537D+00  0.108804D+01 -0.294657D+01  0.115237D+01
      2   0.337342D+01 -0.621517D+01  0.322910D+01 -0.654099D+01  0.784109D+01
      3   0.247837D+01 -0.236693D+01  0.289536D+01 -0.450675D+01  0.582343D+01
               106           107           108           109           110 
      1  -0.172864D+00  0.462817D+01 -0.179713D+01 -0.173109D+01 -0.238905D+01
      2  -0.544533D+01  0.628194D+01 -0.136122D+02  0.106289D+02  0.158528D+01
      3  -0.143509D+01  0.487319D+01 -0.598564D+01 -0.826488D+00 -0.629732D+01
               111           112           113           114           115 
      1  -0.796783D+00 -0.186729D+01 -0.260958D-01 -0.246826D+00 -0.754058D-02
      2   0.569391D+01  0.195133D+01 -0.531841D-01  0.183725D+01  0.812449D+00
      3   0.205760D+00 -0.259028D+01 -0.715917D+00  0.141998D+01  0.181851D+00
               116           117           118           119           120 
      1   0.856105D+00 -0.480808D+00  0.177418D+01  0.829138D+00 -0.383677D+00
      2   0.662885D+00  0.763012D+00 -0.111139D+01 -0.929276D+00 -0.146129D+01
      3   0.134941D+01 -0.627854D+00  0.306712D+01  0.110396D+01 -0.553920D-01
               121           122           123           124           125 
      1   0.294351D+00  0.106961D+02  0.985789D+00 -0.389922D+00  0.421747D+01
      2  -0.148945D+01 -0.618943D+01 -0.535878D+01 -0.158630D+01 -0.227506D+01
      3   0.227675D+01  0.164284D+02  0.602125D+01 -0.681274D+00  0.425343D+01
               126           127           128           129           130 
      1   0.164031D+01  0.448498D+00 -0.476874D+00  0.231737D+01  0.274058D-01
      2  -0.412736D+01  0.127859D+01 -0.233499D+00  0.100960D+01 -0.739197D+00
      3   0.284208D+01 -0.111973D+02  0.402791D+01 -0.853828D-01  0.757361D+01
               131           132           133           134           135 
      1   0.124654D+00 -0.307235D+01  0.329339D-01  0.214914D+01 -0.395598D-01
      2   0.549808D+00 -0.168693D+01 -0.196105D+01  0.159735D+00 -0.283698D+00
      3  -0.600459D+01 -0.766713D+00 -0.693174D+00 -0.926315D+00 -0.190355D+00
               136           137           138           139           140 
      1  -0.300151D-01  0.851964D-01 -0.155229D+01 -0.974144D-01  0.273240D+00
      2   0.480721D-02  0.262950D+00  0.145321D+01  0.297894D+00  0.160718D+01
      3  -0.784389D+00 -0.279145D+01 -0.263214D+00 -0.167412D+01 -0.144549D+02
               141           142           143           144           145 
      1  -0.441866D+01  0.677170D+00  0.190593D+01 -0.331804D+00 -0.576265D-01
      2   0.268143D+01 -0.799438D+00 -0.404507D+00  0.288070D+00  0.521762D+00
      3  -0.156874D+01 -0.161718D-01 -0.185272D+01 -0.200578D+00 -0.896930D+00
               146           147           148           149           150 
      1   0.185909D+00 -0.681888D+00  0.135541D-01  0.528283D-01 -0.503320D+00
      2   0.168458D-01  0.585437D+01  0.876083D+00  0.190339D+00  0.821091D+00
      3  -0.533556D+01  0.533741D-02 -0.411518D+01 -0.174330D+01 -0.253619D+00
               151           152           153           154           155 
      1   0.600113D+00  0.494653D+00 -0.908422D-02  0.529764D-01 -0.279619D+00
      2  -0.338077D+01 -0.290724D+00  0.110256D+00 -0.170679D+00  0.114620D+00
      3  -0.872901D+00 -0.404283D+00  0.143538D+00  0.153458D+01 -0.501340D+01
               156           157           158           159           160 
      1   0.222560D+01  0.142714D+00  0.981220D-01 -0.333099D+01 -0.790171D+00
      2   0.284715D+01  0.595965D+00 -0.974244D+00 -0.308288D+01 -0.989434D+00
      3  -0.153164D+00 -0.366757D+01  0.113467D+02  0.926505D+00 -0.793084D+00
               161           162           163           164           165 
      1   0.159259D+01 -0.990859D-01  0.177640D+00  0.567083D-01 -0.134381D+01
      2   0.687365D+00 -0.208380D+00 -0.859538D+00 -0.648077D+00  0.400611D+00
      3   0.119914D+01 -0.290965D+00  0.621914D+01  0.391637D+01  0.571797D+00
               166           167           168           169           170 
      1  -0.948937D-01  0.419286D+00 -0.423683D+01  0.574385D+00  0.211409D+01
      2  -0.608529D+00 -0.137504D+01  0.714997D+00 -0.178739D+01 -0.160355D+00
      3   0.736473D+01  0.920292D+01  0.134526D+01  0.137868D+01  0.114474D+01
               171           172           173           174           175 
      1  -0.323543D+00  0.502923D+00  0.134022D+01  0.207831D-01  0.983196D+00
      2   0.753771D-01  0.691580D+00 -0.158935D+00  0.326809D-01  0.111417D+00
      3  -0.646044D-01  0.129014D+01 -0.216331D+01 -0.278433D+00  0.164543D+01
               176           177           178           179           180 
      1  -0.106489D+02 -0.276962D+01  0.343622D+00 -0.118522D+01 -0.172800D+01
      2  -0.623231D+00 -0.379419D+01 -0.243574D+00 -0.164151D+01 -0.558821D+00
      3   0.214774D+02 -0.140621D+00  0.102898D+01  0.414460D+01  0.217673D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.366753D+01  0.254143D+02  0.280665D+01 -0.323830D+02  0.382833D+01
      2  -0.125014D+01 -0.158449D+02  0.533984D+00  0.320086D+02 -0.911262D+01
      3   0.491767D+01 -0.956936D+01 -0.334064D+01  0.374465D+00  0.528429D+01
      4   0.128479D+02  0.182877D+01  0.416647D+00 -0.250814D+01  0.112007D+02
      5   0.136460D+01  0.706387D+00  0.518035D+01 -0.333100D+01  0.546173D+01
      6  -0.729381D+00 -0.830386D+00 -0.915284D+01  0.409340D+01 -0.411311D+01
                 6             7             8             9            10 
      1   0.428845D+00 -0.462130D+01  0.200626D+01  0.114585D+01  0.160393D+02
      2  -0.685417D+00  0.586645D+01 -0.457916D+01 -0.824119D+01 -0.946520D+01
      3   0.256571D+00 -0.124516D+01  0.257290D+01  0.709534D+01 -0.657415D+01
      4   0.519771D+01 -0.241927D+01  0.495871D+01 -0.172585D+02  0.470297D-01
      5  -0.171849D+02  0.216208D+02 -0.168584D+02 -0.560006D+01 -0.131738D+01
      6   0.509784D+01 -0.800685D+01  0.137863D+02 -0.113270D+00  0.460515D+00
                11            12            13            14            15 
      1  -0.956399D+01 -0.190533D+00  0.322997D+01  0.942581D+01  0.235619D+01
      2   0.654354D+01 -0.769892D+00 -0.132416D+02 -0.168690D+02 -0.522136D+01
      3   0.302045D+01  0.960424D+00  0.100117D+02  0.744322D+01  0.286518D+01
      4  -0.185874D+02 -0.136677D+01  0.919099D+01 -0.161336D+02 -0.142630D+01
      5  -0.157332D+01 -0.556015D+01  0.193082D+01 -0.148572D+01  0.869679D+00
      6  -0.892788D+00  0.670459D+01 -0.350757D+01 -0.623119D+01  0.721841D+01
                16            17            18            19            20 
      1   0.130454D+01  0.178456D+01 -0.155072D+02 -0.185159D+02 -0.638879D+01
      2  -0.345853D+01 -0.622711D+01  0.252748D+01  0.256777D+01  0.462396D+01
      3   0.215399D+01  0.444255D+01  0.129797D+02  0.159482D+02  0.176483D+01
      4  -0.152825D+01 -0.174628D+01 -0.732242D+01 -0.514391D+01  0.264177D+01
      5   0.792192D+01 -0.578615D+01 -0.143277D+01  0.124742D+01 -0.120026D+01
      6   0.129740D+01  0.164375D+02  0.300546D+01 -0.316812D+01  0.333215D-01
                21            22            23            24            25 
      1  -0.777060D+00 -0.390422D+01 -0.993312D+01 -0.801112D+00 -0.712046D+00
      2  -0.151451D+01 -0.917880D+00  0.191110D+02  0.435188D+01 -0.227873D+01
      3   0.229157D+01  0.482210D+01 -0.917786D+01 -0.355077D+01  0.299078D+01
      4  -0.102684D+01 -0.100633D+02  0.411112D+00  0.602221D+00 -0.334838D+01
      5   0.497549D+01 -0.553004D+01  0.173561D+00 -0.252999D+01  0.100941D+02
      6   0.224045D+01 -0.177777D+01  0.297086D+01 -0.405007D+01  0.263420D+01
                26            27            28            29            30 
      1  -0.195662D+01 -0.484199D+01 -0.132271D+01  0.173884D+02  0.184698D+01
      2   0.304504D+01 -0.660695D+01  0.100527D+01 -0.117095D+02  0.171726D+01
      3  -0.108841D+01  0.114489D+02  0.317445D+00 -0.567891D+01 -0.356424D+01
      4   0.192505D+01  0.237430D+00  0.121081D+02 -0.142255D+02 -0.624670D+00
      5  -0.162441D+00 -0.133847D+01 -0.217321D+01 -0.102209D+01 -0.362564D+01
      6   0.555996D+01 -0.149487D+01  0.116942D+01 -0.248946D+00 -0.857281D+01
                31            32            33            34            35 
      1  -0.650196D+01  0.426158D+01  0.235713D+01 -0.250173D+01  0.229452D+01
      2   0.173357D+02 -0.887500D+01 -0.134960D+01  0.544910D+01 -0.355546D+01
      3  -0.108338D+02  0.461342D+01 -0.100753D+01 -0.294737D+01  0.126094D+01
      4   0.484459D+01  0.144966D+02  0.218686D+01  0.207875D+01  0.566607D+00
      5   0.480729D-03  0.220313D+01 -0.260065D+01  0.895092D+00  0.157158D+01
      6   0.536352D+01 -0.266695D+01  0.489338D+01 -0.662362D+01  0.108417D+02
                36            37            38            39            40 
      1  -0.142982D+02  0.108512D+02 -0.216749D+02 -0.158139D+01  0.230748D+02
      2   0.241528D+01 -0.120008D+02  0.132695D+02 -0.477718D+00 -0.214618D+02
      3   0.118829D+02  0.114959D+01  0.840541D+01  0.205910D+01 -0.161302D+01
      4   0.317937D+01 -0.180345D+02 -0.506239D+01 -0.154595D+01  0.127347D+02
      5  -0.725990D+00  0.693844D+00 -0.114583D+01 -0.216844D+01 -0.179339D+01
      6   0.119287D+00 -0.252024D+01 -0.633648D+00  0.549682D+01 -0.308449D+01
                41            42            43            44            45 
      1   0.121108D+02  0.168021D+01  0.237091D+01  0.540835D+00 -0.716694D+01
      2  -0.193220D+02 -0.438188D+01 -0.418436D+01 -0.536271D+01 -0.241654D+01
      3   0.721117D+01  0.270168D+01  0.181345D+01  0.482187D+01  0.958348D+01
      4  -0.588080D+01 -0.431077D+01 -0.219283D+01 -0.562333D+01  0.162437D+02
      5  -0.381818D+01  0.139323D+02  0.136075D+02  0.162435D+02  0.527930D+01
      6  -0.692652D+01  0.927481D+01  0.704965D+01  0.174725D+02  0.231287D+01
                46            47            48            49            50 
      1  -0.131548D+02 -0.576505D+01 -0.279486D+01  0.116325D+02 -0.223115D+02
      2   0.877535D+01  0.417770D+01  0.101336D+01 -0.115948D+02  0.207145D+02
      3   0.437948D+01  0.158735D+01  0.178150D+01 -0.376930D-01  0.159709D+01
      4  -0.146135D+01  0.245850D+02  0.297563D+00 -0.222036D+02 -0.138333D+01
      5  -0.422382D+01 -0.212564D+00  0.218547D+02 -0.592437D+01 -0.183610D+01
      6   0.855166D+00  0.848359D-01  0.309530D+01 -0.153746D+01  0.296794D+01
                51            52            53            54            55 
      1  -0.405463D+01 -0.133827D+01 -0.443978D+01  0.159317D+02  0.141926D+02
      2   0.555245D+01 -0.101267D+01  0.327182D+01 -0.191903D+02 -0.418070D+01
      3  -0.149782D+01  0.235094D+01  0.116796D+01  0.325863D+01 -0.100119D+02
      4  -0.158023D+01 -0.727557D+01 -0.828794D+00  0.433921D+01  0.522739D+01
      5   0.468138D+01  0.404072D+02  0.418299D+01  0.363800D+01  0.492996D+01
      6  -0.637755D+01  0.266619D+01  0.594174D+01 -0.251762D+01 -0.461473D+00
                56            57            58            59            60 
      1  -0.120485D+01  0.414676D+00  0.208244D+02  0.718192D+01  0.671207D+01
      2   0.213164D+00 -0.383395D+01 -0.201966D+02 -0.160497D+02 -0.975656D+01
      3   0.991689D+00  0.341928D+01 -0.627765D+00  0.886774D+01  0.304449D+01
      4  -0.853938D+01  0.261986D+01 -0.699721D+01 -0.283181D+02 -0.122154D+02
      5   0.196598D+01 -0.196272D+02  0.164219D+02 -0.102108D+02  0.118091D+02
      6  -0.144656D+01  0.223264D+01 -0.470664D+01 -0.490854D+01  0.133637D+01
                61            62            63            64            65 
      1  -0.731352D+01  0.343414D+01 -0.141925D+02  0.184884D+02  0.494037D+00
      2  -0.134307D+01 -0.352593D+01  0.159128D+02 -0.852971D+01 -0.220979D+01
      3   0.865660D+01  0.917905D-01 -0.172025D+01 -0.995873D+01  0.171575D+01
      4   0.914289D+01 -0.112065D+02  0.331332D+01 -0.730482D+01  0.122819D+02
      5  -0.497088D+02  0.210710D+01  0.663739D+01  0.505033D+01 -0.503634D+01
      6   0.119969D+01 -0.468542D+01  0.140203D+01 -0.425811D+01  0.452127D+01
                66            67            68            69            70 
      1  -0.912853D+01 -0.125945D+02  0.997810D+01 -0.369000D+01 -0.508817D+00
      2  -0.577064D+01  0.107976D+02 -0.140751D+02  0.102862D+01 -0.107082D+02
      3   0.148992D+02  0.179684D+01  0.409701D+01  0.266138D+01  0.112170D+02
      4  -0.393483D+01  0.167595D+02  0.241579D+02  0.972318D+01 -0.473389D+01
      5   0.273270D+02 -0.975674D+01  0.113236D+02 -0.514978D+01  0.392730D+02
      6  -0.400074D+01  0.777472D+01  0.784247D+01  0.590277D+01 -0.389857D+01
                71            72            73            74            75 
      1   0.131436D+01  0.288217D+02 -0.553096D+02 -0.140821D+02  0.156701D+02
      2  -0.323192D+01 -0.108410D+02  0.259239D+02  0.493580D+01 -0.511873D+00
      3   0.191756D+01 -0.179807D+02  0.293857D+02  0.914633D+01 -0.151583D+02
      4   0.899390D+01 -0.430226D+01 -0.190443D+02  0.606668D+01 -0.137214D+01
      5  -0.990002D+00  0.688831D+01  0.203152D+02  0.185161D+01  0.162884D+02
      6   0.667157D+01 -0.141623D+01  0.750529D+01 -0.535316D+01  0.276120D+01
                76            77            78            79            80 
      1  -0.167072D+02  0.127926D+02 -0.564305D+01  0.114374D+00 -0.866003D+01
      2   0.107834D+02 -0.204165D+01 -0.119693D+01  0.122242D+02  0.130224D+00
      3   0.592381D+01 -0.107509D+02  0.683999D+01 -0.123386D+02  0.852980D+01
      4   0.262768D+01  0.211104D+02  0.159649D+02 -0.406895D+01  0.138698D+02
      5   0.237913D+01  0.120842D+02 -0.626551D+01  0.286103D+02 -0.333325D+01
      6  -0.100881D+01 -0.101291D+02 -0.126672D+02  0.260254D+01 -0.947178D+01
                81            82            83            84            85 
      1   0.194499D+02  0.410198D+01 -0.942788D-01  0.130196D+02  0.438322D+01
      2  -0.152596D+02 -0.382435D+01  0.480913D+00  0.367240D+01 -0.220259D+01
      3  -0.419025D+01 -0.277631D+00 -0.386635D+00 -0.166920D+02 -0.218063D+01
      4  -0.517972D+01  0.340014D+00 -0.155394D+01 -0.551707D+00  0.140788D+01
      5  -0.151472D+02  0.249922D+01  0.907224D+00 -0.687419D+01  0.224700D+00
      6   0.854896D+01  0.625930D+00 -0.143427D+01  0.104922D+01 -0.852873D-01
                86            87            88            89            90 
      1  -0.378820D+01 -0.901933D+00  0.127862D+02  0.230596D+01 -0.308795D+02
      2   0.747721D+00 -0.168249D+00 -0.214146D+01 -0.610672D+00 -0.105938D+02
      3   0.304048D+01  0.107018D+01 -0.106447D+02 -0.169529D+01  0.414732D+02
      4  -0.932170D+00  0.276006D+01 -0.256346D+01  0.314828D+01 -0.571137D+00
      5   0.204395D+01  0.936804D+00  0.186327D+01 -0.259604D+01  0.245042D+02
      6  -0.543565D+00  0.635436D+01  0.766872D+00  0.507624D+01 -0.568304D+01
                91            92            93            94            95 
      1   0.152003D+01  0.341601D+01  0.123575D+01 -0.102042D+00 -0.145103D+02
      2   0.296464D+01  0.122300D-01  0.179891D+00  0.453434D+01  0.278536D+02
      3  -0.448467D+01 -0.342824D+01 -0.141564D+01 -0.443230D+01 -0.133434D+02
      4   0.752994D+01  0.109497D+02  0.181559D+01  0.109975D+02  0.320894D+02
      5   0.153960D+01  0.180211D+01  0.527347D+01  0.670195D+00  0.477605D+01
      6   0.218976D+01  0.867068D+00  0.192757D+00  0.109036D+01  0.800565D+01
                96            97            98            99           100 
      1  -0.252330D+01  0.103278D+01 -0.256627D+01 -0.347422D+01 -0.206058D+01
      2   0.404337D+01  0.601674D+00  0.252342D+01  0.213789D+01 -0.673098D+00
      3  -0.152007D+01 -0.163445D+01  0.428486D-01  0.133633D+01  0.273368D+01
      4   0.558770D+01  0.165447D+01  0.593925D+01  0.465934D+01  0.219535D+01
      5   0.658620D+01  0.629080D+01  0.430683D+01  0.287079D+01 -0.398167D+00
      6   0.552330D+01  0.142062D+01  0.873762D+01  0.356754D+01 -0.358371D+01
               101           102           103           104           105 
      1   0.681469D+01 -0.110373D+02  0.681369D+01 -0.116646D+02  0.118367D+02
      2  -0.229098D+01 -0.258035D+00 -0.350940D+01  0.489367D+01  0.766448D-01
      3  -0.452371D+01  0.112953D+02 -0.330429D+01  0.677091D+01 -0.119134D+02
      4  -0.224006D+01  0.178601D+01  0.181521D+01  0.691358D+01 -0.934739D+01
      5  -0.923860D-01 -0.349518D+01 -0.369687D+01 -0.694774D+01  0.985109D+01
      6   0.483808D+01 -0.503242D+01  0.933440D+00 -0.105691D+02  0.134568D+02
               106           107           108           109           110 
      1  -0.577179D+01  0.103467D+02 -0.222094D+02  0.842195D+02  0.966687D+01
      2   0.514139D+00  0.595472D+00 -0.625788D+01 -0.450591D+02 -0.375977D+01
      3   0.525765D+01 -0.109421D+02  0.284673D+02 -0.391603D+02 -0.590710D+01
      4   0.320263D+00 -0.823432D+01  0.835167D+01  0.169825D+02  0.124690D+02
      5   0.439786D+01  0.671344D+01 -0.156247D+02 -0.352228D+02 -0.439725D+01
      6  -0.168831D+01  0.115534D+02 -0.143027D+02 -0.564912D+01 -0.404802D+01
               111           112           113           114           115 
      1  -0.925226D+01  0.120815D+02  0.673866D+01 -0.154099D+00  0.333329D+01
      2   0.900272D+01 -0.491112D+01 -0.243749D+01  0.142988D+01  0.828249D+00
      3   0.249535D+00 -0.717033D+01 -0.430117D+01 -0.127578D+01 -0.416154D+01
      4  -0.262071D+01  0.148033D+02  0.464079D+01 -0.346286D+01  0.597413D+00
      5   0.163931D+02 -0.653023D+01 -0.465792D+01  0.395703D+01  0.828558D+01
      6   0.169045D+01 -0.369283D+01 -0.916678D+00  0.312140D+01  0.906536D+00
               116           117           118           119           120 
      1   0.109074D+01  0.382380D+01  0.460042D+01 -0.250511D+01 -0.435965D+01
      2   0.493749D+00 -0.329950D+01 -0.143363D+01  0.167061D+01  0.369751D+00
      3  -0.158448D+01 -0.524299D+00 -0.316679D+01  0.834503D+00  0.398990D+01
      4  -0.858051D+00  0.235044D+01 -0.175366D+01  0.128169D+01  0.704727D+00
      5   0.187038D+01 -0.243199D+01 -0.242987D+01  0.179704D+01 -0.906463D+00
      6   0.195516D+01 -0.987666D+00  0.179814D+01  0.920202D+00  0.204252D+00
               121           122           123           124           125 
      1  -0.554557D+01 -0.901867D+01 -0.428482D+01 -0.177907D+01 -0.342868D+01
      2   0.337853D+01  0.789551D+01 -0.167303D+01  0.103160D+01 -0.716148D+00
      3   0.216704D+01  0.112316D+01  0.595785D+01  0.747467D+00  0.414483D+01
      4   0.628906D+01 -0.278765D+02 -0.111634D+02  0.119962D+01 -0.759946D+01
      5   0.775718D+01 -0.949683D+01 -0.118748D+02  0.197236D+01 -0.480900D+01
      6  -0.191957D+01  0.192677D+02  0.112804D+02 -0.977898D+00  0.987663D+01
               126           127           128           129           130 
      1  -0.694760D+01 -0.428650D+01  0.690753D+01  0.700231D+00  0.801915D+01
      2  -0.507812D+00  0.588514D+01 -0.102609D+02 -0.828395D+00 -0.112783D+02
      3   0.745541D+01 -0.159864D+01  0.335338D+01  0.128164D+00  0.325918D+01
      4  -0.514575D+01 -0.861059D+01  0.870538D+01  0.602326D+00  0.858708D+01
      5  -0.631204D+01 -0.193607D+00  0.614737D+00  0.233597D+01  0.199853D+00
      6   0.541681D+01  0.463918D+00 -0.797038D+00 -0.165624D+01 -0.125889D+01
               131           132           133           134           135 
      1  -0.214516D+02 -0.223612D+01  0.897567D+00 -0.157756D+01 -0.310286D+00
      2   0.292572D+02  0.191597D+01 -0.133660D+01  0.202449D+01  0.103692D+01
      3  -0.780559D+01  0.320157D+00  0.439031D+00 -0.446933D+00 -0.726633D+00
      4  -0.932753D+01 -0.581352D+00  0.106342D+01 -0.480492D+00 -0.175950D+01
      5  -0.831839D+00 -0.173575D+01  0.571623D+00 -0.280007D+00 -0.515262D+00
      6   0.271353D+01  0.470162D+01  0.483706D-01  0.149744D+01  0.812681D+00
               136           137           138           139           140 
      1   0.530821D+01  0.460159D+01  0.503393D+00 -0.178759D+01 -0.175421D+02
      2   0.417571D+01  0.610702D+01  0.334219D+00  0.137111D+02  0.424132D+02
      3  -0.948392D+01 -0.107086D+02 -0.837613D+00 -0.119235D+02 -0.248712D+02
      4   0.191756D+02  0.245525D+02  0.281128D+01  0.259198D+02  0.499623D+02
      5   0.238074D+01  0.270929D+01  0.386013D+01  0.303114D+01  0.536792D+01
      6   0.183908D+01  0.222967D+01  0.207236D+01  0.328951D+01  0.770517D+01
               141           142           143           144           145 
      1  -0.216105D+01 -0.213151D+00 -0.180425D+01 -0.121904D+01  0.102230D+03
      2   0.361939D+01  0.159262D+01  0.447499D+01  0.231226D+01 -0.572565D+02
      3  -0.145834D+01 -0.137947D+01 -0.267074D+01 -0.109322D+01 -0.449731D+02
      4   0.574678D+01  0.328013D+01  0.637898D+01  0.186956D+01  0.162964D+02
      5   0.435226D+01  0.796278D+00  0.134458D+01  0.853052D+00  0.516862D+01
      6   0.732401D+01  0.145046D+01  0.260091D+01  0.154514D+01 -0.971811D+00
               146           147           148           149           150 
      1   0.102985D+02  0.344058D+01  0.908812D+01  0.103192D+02  0.110402D+01
      2  -0.507308D+01 -0.227884D+01 -0.380931D+01 -0.468865D+01 -0.921047D+00
      3  -0.522545D+01 -0.116174D+01 -0.527881D+01 -0.563054D+01 -0.182973D+00
      4   0.987082D+01  0.531947D+00  0.174084D+02  0.525338D+01  0.900891D+00
      5   0.522963D+00  0.907980D+01  0.227872D+01  0.840973D+00  0.115986D+01
      6   0.138014D+00  0.745274D+00  0.501321D+00 -0.214559D-01  0.182768D+01
               151           152           153           154           155 
      1   0.423174D+01  0.117815D+01  0.238506D+01  0.232195D+02 -0.147392D+02
      2  -0.234682D+01 -0.596520D+00 -0.125399D+01 -0.366923D+01 -0.108416D+01
      3  -0.188492D+01 -0.581635D+00 -0.113107D+01 -0.195503D+02  0.158234D+02
      4   0.255709D+01  0.945441D+00  0.417465D+00 -0.355197D+02  0.320875D+02
      5   0.904253D+00  0.154850D+00  0.519531D+00 -0.366587D+01  0.263204D+01
      6   0.362747D-01  0.511207D+00  0.281540D+00  0.142923D+01 -0.116755D+01
               156           157           158           159           160 
      1  -0.143586D+01 -0.935365D+01  0.386115D+01  0.378388D+00 -0.387265D+00
      2   0.445697D+00 -0.777625D+01  0.178899D+02  0.507540D+00 -0.962413D+00
      3   0.990161D+00  0.171299D+02 -0.217510D+02 -0.885928D+00  0.134968D+01
      4   0.230346D+01  0.361914D+02 -0.463108D+02 -0.404877D+01  0.363096D+01
      5   0.556863D+01  0.387822D+01 -0.442383D+01 -0.450153D+01  0.146065D+01
      6  -0.276791D+01 -0.243982D+01  0.325275D+01  0.534559D+01 -0.118113D+01
               161           162           163           164           165 
      1   0.907439D-02  0.464551D-01 -0.533220D+01 -0.919575D+01 -0.130418D+01
      2   0.175311D+01  0.103283D+01  0.701535D+01  0.115983D+02  0.107021D+01
      3  -0.176218D+01 -0.107929D+01 -0.168315D+01 -0.240253D+01  0.233968D+00
      4  -0.418269D+01 -0.162292D+01  0.361985D+01  0.775831D+01  0.732888D+00
      5  -0.153173D+01 -0.599779D+00  0.469247D+00  0.511888D+00  0.160480D+01
      6   0.168720D+01  0.900491D+00  0.125150D+01  0.207634D+01  0.169446D+01
               166           167           168           169           170 
      1  -0.721198D+01 -0.357532D+02 -0.424586D+01 -0.140225D+01 -0.472393D+01
      2   0.893977D+01  0.488703D+02  0.432021D+01  0.187712D+01  0.605664D+01
      3  -0.172779D+01 -0.131171D+02 -0.743566D-01 -0.474862D+00 -0.133270D+01
      4   0.510817D+01 -0.952241D+00 -0.427015D+00  0.797565D+00  0.145736D+00
      5   0.828010D+00 -0.755486D+00  0.309096D+00 -0.165848D+00  0.557998D+00
      6   0.141442D+01  0.753714D+01  0.683105D+01  0.303314D+00  0.234242D+01
               171           172           173           174           175 
      1  -0.154617D+01  0.694696D+01 -0.271768D+00  0.382785D+01 -0.281359D+01
      2   0.247836D+01 -0.500460D+01 -0.115767D+01 -0.289777D+01 -0.107326D+01
      3  -0.932190D+00 -0.194236D+01  0.142943D+01 -0.930085D+00  0.388685D+01
      4   0.118454D+01  0.139927D+00  0.569494D+01  0.958586D+00  0.813794D+01
      5   0.172649D+00  0.516911D+01  0.119604D+01  0.251911D+01 -0.303769D+01
      6   0.151827D+01  0.175401D+01  0.114358D+01  0.100319D+01  0.176163D+01
               176           177           178           179           180 
      1  -0.823492D+01  0.215088D+01 -0.324286D+00  0.116033D+01 -0.234711D+01
      2   0.212448D+02  0.189116D+01 -0.101442D+01  0.234516D+01  0.127912D+01
      3  -0.130099D+02 -0.404204D+01  0.133871D+01 -0.350549D+01  0.106798D+01
      4  -0.334841D+02  0.109644D+01  0.180804D+01 -0.611184D+01 -0.298383D+01
      5   0.189352D+00 -0.660188D+01  0.195293D+01 -0.306913D+01 -0.431689D+00
      6  -0.126998D+02  0.360863D+01 -0.368689D+00  0.217280D+01 -0.378422D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 20:03:25 2021, MaxMem=  5368709120 cpu:            8466.0 elap:            1062.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.31627 -10.21827 -10.19301 -10.19181 -10.19123
 Alpha  occ. eigenvalues --  -10.18958 -10.18948 -10.18872 -10.17639  -0.90029
 Alpha  occ. eigenvalues --   -0.85943  -0.76961  -0.75346  -0.72570  -0.63466
 Alpha  occ. eigenvalues --   -0.61200  -0.57970  -0.52316  -0.49748  -0.47015
 Alpha  occ. eigenvalues --   -0.46035  -0.44340  -0.42894  -0.42293  -0.39568
 Alpha  occ. eigenvalues --   -0.37856  -0.36669  -0.35979  -0.34716  -0.33967
 Alpha  occ. eigenvalues --   -0.26539  -0.26047  -0.23957
 Alpha virt. eigenvalues --   -0.01907  -0.01572  -0.01269   0.00060   0.00272
 Alpha virt. eigenvalues --    0.01059   0.02162   0.02393   0.03116   0.04279
 Alpha virt. eigenvalues --    0.04445   0.05213   0.05765   0.06437   0.07611
 Alpha virt. eigenvalues --    0.08046   0.08657   0.08787   0.08982   0.09485
 Alpha virt. eigenvalues --    0.09685   0.10061   0.10250   0.10879   0.10960
 Alpha virt. eigenvalues --    0.11380   0.11716   0.12101   0.12618   0.12943
 Alpha virt. eigenvalues --    0.13501   0.14283   0.14468   0.14674   0.15409
 Alpha virt. eigenvalues --    0.15659   0.16793   0.16951   0.17117   0.18285
 Alpha virt. eigenvalues --    0.19208   0.19967   0.20367   0.21742   0.22363
 Alpha virt. eigenvalues --    0.22696   0.23360   0.23798   0.24003   0.24328
 Alpha virt. eigenvalues --    0.24622   0.25642   0.25823   0.26023   0.26047
 Alpha virt. eigenvalues --    0.27028   0.27213   0.27755   0.28206   0.28977
 Alpha virt. eigenvalues --    0.29881   0.30173   0.30805   0.32241   0.32650
 Alpha virt. eigenvalues --    0.32967   0.33190   0.33330   0.34553   0.36001
 Alpha virt. eigenvalues --    0.36842   0.37321   0.37674   0.38522   0.39396
 Alpha virt. eigenvalues --    0.40216   0.41154   0.41373   0.42368   0.43436
 Alpha virt. eigenvalues --    0.43787   0.44172   0.44699   0.44795   0.45527
 Alpha virt. eigenvalues --    0.46733   0.47297   0.47895   0.48761   0.49588
 Alpha virt. eigenvalues --    0.50176   0.51604   0.51825   0.52320   0.53283
 Alpha virt. eigenvalues --    0.54081   0.54302   0.55090   0.55588   0.56104
 Alpha virt. eigenvalues --    0.56539   0.57078   0.57950   0.58203   0.59453
 Alpha virt. eigenvalues --    0.59608   0.60734   0.61316   0.61394   0.62002
 Alpha virt. eigenvalues --    0.63017   0.63639   0.64065   0.65129   0.65686
 Alpha virt. eigenvalues --    0.66103   0.66679   0.67523   0.68277   0.68787
 Alpha virt. eigenvalues --    0.69074   0.70126   0.71272   0.73434   0.74427
 Alpha virt. eigenvalues --    0.75622   0.76400   0.77070   0.77330   0.77684
 Alpha virt. eigenvalues --    0.77844   0.79123   0.79804   0.80529   0.81139
 Alpha virt. eigenvalues --    0.81720   0.81946   0.83404   0.84163   0.86386
 Alpha virt. eigenvalues --    0.87177   0.88920   0.89446   0.90321   0.93252
 Alpha virt. eigenvalues --    0.93692   0.94769   0.96975   0.97203   0.99528
 Alpha virt. eigenvalues --    1.00212   1.00436   1.01808   1.04586   1.05975
 Alpha virt. eigenvalues --    1.06315   1.10025   1.12056   1.14443   1.15819
 Alpha virt. eigenvalues --    1.18390   1.19676   1.24471   1.28897   1.29539
 Alpha virt. eigenvalues --    1.30639   1.31478   1.34774   1.35895   1.36860
 Alpha virt. eigenvalues --    1.37420   1.37824   1.38769   1.40249   1.41902
 Alpha virt. eigenvalues --    1.42630   1.43346   1.44733   1.45901   1.48071
 Alpha virt. eigenvalues --    1.49382   1.49995   1.50215   1.52191   1.52547
 Alpha virt. eigenvalues --    1.54255   1.57088   1.58049   1.59533   1.61384
 Alpha virt. eigenvalues --    1.62532   1.64881   1.65939   1.66747   1.68161
 Alpha virt. eigenvalues --    1.68356   1.70125   1.71459   1.72303   1.72874
 Alpha virt. eigenvalues --    1.74234   1.75552   1.77699   1.79618   1.81026
 Alpha virt. eigenvalues --    1.81962   1.83742   1.84735   1.85969   1.86429
 Alpha virt. eigenvalues --    1.87819   1.88199   1.90797   1.92421   1.95186
 Alpha virt. eigenvalues --    1.96241   1.97421   1.99226   1.99865   1.99944
 Alpha virt. eigenvalues --    2.03183   2.04585   2.05920   2.07247   2.08203
 Alpha virt. eigenvalues --    2.09528   2.10333   2.12028   2.13475   2.14432
 Alpha virt. eigenvalues --    2.15961   2.17719   2.19115   2.22291   2.25007
 Alpha virt. eigenvalues --    2.27044   2.30098   2.31538   2.32222   2.34283
 Alpha virt. eigenvalues --    2.38083   2.39136   2.40828   2.46580   2.47915
 Alpha virt. eigenvalues --    2.48028   2.50788   2.51992   2.53724   2.55796
 Alpha virt. eigenvalues --    2.59009   2.61257   2.62046   2.67528   2.69515
 Alpha virt. eigenvalues --    2.73512   2.74158   2.75925   2.81004   2.86312
 Alpha virt. eigenvalues --    2.87899   2.92610   2.99363   3.00472   3.04078
 Alpha virt. eigenvalues --    3.06575   3.09342   3.22989   3.39581   3.42131
 Alpha virt. eigenvalues --    3.54895   3.73946   4.55644
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   15.826047  -8.117748   5.130752  -6.316592   6.389236  -6.712690
     2  C   -8.117748  24.682326 -11.507407   4.286579  -7.197394   6.040834
     3  C    5.130752 -11.507407  21.979717 -10.264316   6.464507  -6.153523
     4  C   -6.316592   4.286579 -10.264316  23.213420  -8.790658   5.727825
     5  C    6.389236  -7.197394   6.464507  -8.790658  16.750712  -6.969185
     6  C   -6.712690   6.040834  -6.153523   5.727825  -6.969185  14.033834
     7  C   -0.285684  -0.017805  -4.142171  -0.144861  -1.263854   0.448992
     8  N    0.051548  -0.416732   0.685850  -0.199564   0.206058  -0.087710
     9  C    0.295906  -0.731716   0.778851  -0.784348   0.514130  -0.259007
    10  H    0.037860  -0.018565   0.075171  -0.043972   0.015228  -0.019526
    11  H   -0.157159   0.146233   0.703202   0.074893  -0.058192   0.069228
    12  H   -0.029427   0.068282  -0.395034   0.096824  -0.021858   0.010293
    13  H    0.016130  -0.178409   0.494526  -0.014597   0.043112  -0.015197
    14  H    0.031975   0.078540   0.032138  -0.174073   0.002970  -0.017088
    15  H    0.178460  -0.366821   0.561843  -2.845919   1.042485  -0.231885
    16  H   -0.482675   0.298097  -0.543749   1.439394  -2.240632   0.845090
    17  H    0.835983  -0.296760   0.202347  -0.250312   0.905577  -1.957928
    18  H   -2.063365   1.196552  -0.458618   0.279869  -0.447908   0.843748
    19  H    0.936616  -3.086380   1.066786  -0.249661   0.234286  -0.343086
    20  H   -0.000859   0.084372  -0.179066   0.061477  -0.051822   0.006123
               7          8          9         10         11         12
     1  C   -0.285684   0.051548   0.295906   0.037860  -0.157159  -0.029427
     2  C   -0.017805  -0.416732  -0.731716  -0.018565   0.146233   0.068282
     3  C   -4.142171   0.685850   0.778851   0.075171   0.703202  -0.395034
     4  C   -0.144861  -0.199564  -0.784348  -0.043972   0.074893   0.096824
     5  C   -1.263854   0.206058   0.514130   0.015228  -0.058192  -0.021858
     6  C    0.448992  -0.087710  -0.259007  -0.019526   0.069228   0.010293
     7  C   14.947566  -1.231223  -0.649004  -0.062906  -2.245392   0.122261
     8  N   -1.231223   7.025179   0.198777   0.250203   0.248269   0.091075
     9  C   -0.649004   0.198777   4.777394  -0.006120   0.227295   0.046111
    10  H   -0.062906   0.250203  -0.006120   1.025901  -0.043006  -0.009894
    11  H   -2.245392   0.248269   0.227295  -0.043006   2.861500  -0.044318
    12  H    0.122261   0.091075   0.046111  -0.009894  -0.044318   2.058994
    13  H   -0.040188  -0.045353  -0.057484   0.013276  -0.035056  -0.349012
    14  H   -0.132370  -0.028859   0.388243   0.004834   0.111585  -0.329979
    15  H    0.260752  -0.056700   0.075932  -0.003118  -0.004308  -0.001348
    16  H    0.060202  -0.003986  -0.005636  -0.001178   0.003931  -0.002529
    17  H   -0.019042  -0.000711  -0.001174  -0.000096   0.000920   0.000164
    18  H    0.038779  -0.000146  -0.000943   0.000341   0.004647  -0.003455
    19  H    0.230966   0.005220   0.091095   0.008485  -0.182859  -0.001638
    20  H    0.047620   0.288144  -0.053216  -0.138149   0.064126   0.017040
              13         14         15         16         17         18
     1  C    0.016130   0.031975   0.178460  -0.482675   0.835983  -2.063365
     2  C   -0.178409   0.078540  -0.366821   0.298097  -0.296760   1.196552
     3  C    0.494526   0.032138   0.561843  -0.543749   0.202347  -0.458618
     4  C   -0.014597  -0.174073  -2.845919   1.439394  -0.250312   0.279869
     5  C    0.043112   0.002970   1.042485  -2.240632   0.905577  -0.447908
     6  C   -0.015197  -0.017088  -0.231885   0.845090  -1.957928   0.843748
     7  C   -0.040188  -0.132370   0.260752   0.060202  -0.019042   0.038779
     8  N   -0.045353  -0.028859  -0.056700  -0.003986  -0.000711  -0.000146
     9  C   -0.057484   0.388243   0.075932  -0.005636  -0.001174  -0.000943
    10  H    0.013276   0.004834  -0.003118  -0.001178  -0.000096   0.000341
    11  H   -0.035056   0.111585  -0.004308   0.003931   0.000920   0.004647
    12  H   -0.349012  -0.329979  -0.001348  -0.002529   0.000164  -0.003455
    13  H    1.914684  -0.441334   0.018319   0.000104  -0.000137   0.001377
    14  H   -0.441334   1.837811  -0.085958   0.005040   0.000058  -0.000514
    15  H    0.018319  -0.085958   3.925089  -0.250001  -0.031172   0.022472
    16  H    0.000104   0.005040  -0.250001   2.850624  -0.151991  -0.037889
    17  H   -0.000137   0.000058  -0.031172  -0.151991   2.719072  -0.147585
    18  H    0.001377  -0.000514   0.022472  -0.037889  -0.147585   2.769018
    19  H   -0.002847   0.010760  -0.063469   0.022176  -0.031526  -0.217016
    20  H   -0.036541   0.027675  -0.062433  -0.002408   0.000507  -0.000406
              19         20
     1  C    0.936616  -0.000859
     2  C   -3.086380   0.084372
     3  C    1.066786  -0.179066
     4  C   -0.249661   0.061477
     5  C    0.234286  -0.051822
     6  C   -0.343086   0.006123
     7  C    0.230966   0.047620
     8  N    0.005220   0.288144
     9  C    0.091095  -0.053216
    10  H    0.008485  -0.138149
    11  H   -0.182859   0.064126
    12  H   -0.001638   0.017040
    13  H   -0.002847  -0.036541
    14  H    0.010760   0.027675
    15  H   -0.063469  -0.062433
    16  H    0.022176  -0.002408
    17  H   -0.031526   0.000507
    18  H   -0.217016  -0.000406
    19  H    3.604765   0.000427
    20  H    0.000427   1.018635
 Mulliken charges:
               1
     1  C    0.435686
     2  C    1.053923
     3  C    1.468194
     4  C    0.898592
     5  C    0.473202
     6  C    0.740858
     7  C    0.077363
     8  N    0.020659
     9  C    1.154914
    10  H   -0.084770
    11  H   -0.745539
    12  H   -0.322554
    13  H   -0.285373
    14  H   -0.321452
    15  H   -1.082218
    16  H   -0.801985
    17  H   -0.776193
    18  H   -0.778958
    19  H   -1.033102
    20  H   -0.091247
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.343272
     2  C    0.020820
     3  C    1.468194
     4  C   -0.183626
     5  C   -0.328783
     6  C   -0.035335
     7  C   -0.668176
     8  N   -0.155358
     9  C    0.225536
 Electronic spatial extent (au):  <R**2>=           1294.2420
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.9250    Y=              0.3336    Z=              0.1346  Tot=              0.9925
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -58.9250   YY=            -50.6441   ZZ=            -57.7601
   XY=             -0.8855   XZ=             -1.8634   YZ=              0.1905
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -3.1486   YY=              5.1323   ZZ=             -1.9838
   XY=             -0.8855   XZ=             -1.8634   YZ=              0.1905
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             32.5778  YYY=              3.0794  ZZZ=             -7.2646  XYY=             -2.2952
  XXY=              1.5922  XXZ=             10.1904  XZZ=             -6.3286  YZZ=              0.5430
  YYZ=             -1.6922  XYZ=              2.2528
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1282.0497 YYYY=           -329.6226 ZZZZ=           -211.1583 XXXY=             -1.6263
 XXXZ=            -34.8300 YYYX=             -7.7692 YYYZ=              3.0336 ZZZX=             10.7401
 ZZZY=             -5.5567 XXYY=           -244.0039 XXZZ=           -268.8777 YYZZ=           -100.1317
 XXYZ=              0.6713 YYXZ=              5.0063 ZZXY=             -1.8549
 N-N= 4.250984373677D+02 E-N=-1.699405526049D+03  KE= 3.640866214392D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 20:03:25 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.60881632D-01 1.47142918D-01 2.89654388D-02
 Polarizability= 1.25905636D+02-5.33705862D-01 1.01147794D+02
                 4.22351598D-01 2.65996868D+00 7.09134516D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.6008   -0.6016       -0.1820   -0.1815
 2      0.6008    0.6016       -1.2689   -1.2686      -15.2397  -15.2429
 3      0.1820    0.1815       30.5195   30.5237        1.2690    1.2686
 4      1.2689    1.2686       -0.0000    0.0000        0.1830    0.1815
 5    -15.2798  -15.2808       -0.1830   -0.1815       -0.6000   -0.6016
 6     -1.2690   -1.2686        0.6000    0.6016        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.8048    1.8048       -0.5444   -0.5444
 2      3.8059    3.8059        0.0000    0.0000       -0.5444   -0.5444
 3      3.8059    3.8059        1.8048    1.8048       -0.0000    0.0000
 4      1.8048    1.8048       -3.8059   -3.8059      -45.7287  -45.7287
 5      0.5444    0.5444       91.5711   91.5711        3.8059    3.8059
 6    -45.8423  -45.8423       -0.5444   -0.5444       -1.8048   -1.8048
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0502    0.0000        2.2872    2.4064        0.7795    0.7259
 2     -2.3730   -2.4064        5.0406    5.0746       61.0730   60.9717
 3     -0.7378   -0.7259     -121.9995 -122.0947       -4.9131   -5.0746
 4     -5.0257   -5.0746       -0.0915    0.0000       -0.6408   -0.7259
 5     61.0811   61.1231        0.6116    0.7259        2.2733    2.4064
 6      4.9894    5.0746       -2.6233   -2.4064        0.0541    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0110    0.0000       -3.7778   -3.6461       -3.2954   -3.2999
 2      3.7531    3.6461      -55.5229  -55.7882      -18.9534  -18.3772
 3      3.1596    3.2999      -16.1227  -15.9996       55.8638   55.7882
 4     55.7364   55.7882        0.0543    0.0000        3.0792    3.2999
 5     34.3891   34.3768       -3.4117   -3.2999       -3.8747   -3.6461
 6    -55.8000  -55.7882        3.6831    3.6461        0.2747    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     47.1859   46.9924       -2.9782   -2.9169        2.2651    2.2910
 2    125.0421  124.8877       -1.2751   -1.2751        1.8585    2.2910
 3    125.0440  124.8877       -3.0168   -2.9169        4.5387    4.8142
 4     -1.7508   -1.6419      -77.9349  -77.8953      -22.7161  -22.7829
 5      2.4594    2.5232      -22.2243  -22.4248       78.0254   77.8953
 6     44.9348   45.2077       -2.9836   -2.5232        1.6884    1.6419
 Full mass-weighted force constant matrix:
 Low frequencies ---   -6.4011   -3.6436   -0.0004    0.0004    0.0006    4.6940
 Low frequencies ---   24.7633  128.1845  212.2268
 Diagonal vibrational polarizability:
       15.5144911       8.8457676      21.4622711
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     24.7532               128.1837               212.2268
 Red. masses --      3.0053                 3.3459                 2.2565
 Frc consts  --      0.0011                 0.0324                 0.0599
 IR Inten    --      0.2393                 0.0500                 0.6238
 RamAct Fr= 1--      4.0780                 4.1994                 0.4512
  Dep-P Fr= 1--      0.7423                 0.7428                 0.2966
  Dep-U Fr= 1--      0.8521                 0.8524                 0.4575
 Alpha2 Fr= 1--      0.0005                 0.0005                 0.0047
 Beta2  Fr= 1--      0.5791                 0.5966                 0.0344
 AlphaG Fr= 1--      0.0011                 0.0009                -0.0005
 Gamma2 Fr= 1--     -0.6510                 0.0291                -0.0743
 Delta2 Fr= 1--     -0.5407                -0.1678                -0.0493
 Raman1 Fr= 1--      16.312                 16.798                  1.805
 ROA1   Fr= 1--     -79.797                 -2.572                 -8.706
 CID1   Fr= 1--      -4.892                 -0.153                 -4.824
 Raman2 Fr= 1--       6.950                  7.159                  0.413
 ROA2   Fr= 1--     -11.299                  2.042                 -1.389
 CID2   Fr= 1--      -1.626                  0.285                 -3.364
 Raman3 Fr= 1--      13.899                 14.319                  0.826
 ROA3   Fr= 1--     -79.797                 -2.572                 -8.706
 CID3   Fr= 1--      -5.741                 -0.180                -10.545
 RC180  Fr= 1--       0.704                  0.705                 -0.085
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.16    -0.01  -0.01   0.04     0.04   0.03   0.00
     2   6     0.01   0.01  -0.10    -0.00   0.02  -0.15     0.05  -0.09  -0.01
     3   6    -0.00  -0.02   0.06    -0.00   0.02  -0.17    -0.01  -0.13  -0.02
     4   6    -0.01  -0.03   0.17    -0.00   0.01  -0.10    -0.10  -0.10  -0.02
     5   6    -0.01  -0.01   0.12    -0.01  -0.01   0.10    -0.13   0.01  -0.00
     6   6     0.00   0.01  -0.05    -0.01  -0.03   0.20    -0.05   0.06   0.01
     7   6    -0.00  -0.02   0.07    -0.00   0.00  -0.04    -0.01  -0.03  -0.01
     8   7     0.05  -0.16  -0.09    -0.17  -0.08   0.02     0.09   0.09   0.01
     9   6    -0.05   0.20   0.00     0.21   0.09   0.05     0.08   0.10   0.02
    10   1     0.06  -0.36  -0.07    -0.34  -0.17  -0.06     0.15   0.14   0.04
    11   1    -0.00  -0.05   0.22    -0.02  -0.02   0.06    -0.16  -0.01  -0.00
    12   1    -0.08   0.33   0.12     0.37   0.18   0.03    -0.17  -0.16  -0.04
    13   1    -0.05   0.19  -0.00     0.21   0.03   0.26    -0.01   0.54   0.01
    14   1    -0.07   0.25  -0.15     0.21   0.12  -0.06     0.51   0.02   0.11
    15   1    -0.02  -0.04   0.31    -0.00   0.01  -0.13    -0.16  -0.15  -0.03
    16   1    -0.02  -0.02   0.21    -0.01  -0.03   0.20    -0.20   0.04   0.00
    17   1     0.00   0.02  -0.09    -0.02  -0.05   0.39    -0.07   0.14   0.03
    18   1     0.02   0.04  -0.29    -0.01  -0.01   0.09     0.11   0.08   0.02
    19   1     0.01   0.02  -0.19    -0.00   0.02  -0.22     0.12  -0.12  -0.01
    20   1     0.12  -0.12  -0.27    -0.11  -0.05  -0.07     0.15   0.07   0.10
                      4                      5                      6
                      A                      A                      A
 Frequencies --    249.2262               265.1189               315.4935
 Red. masses --      1.1827                 1.1420                 2.9878
 Frc consts  --      0.0433                 0.0473                 0.1752
 IR Inten    --     25.7132                12.8287                 1.9843
 RamAct Fr= 1--      0.6097                 0.2841                 1.5026
  Dep-P Fr= 1--      0.3803                 0.7353                 0.2538
  Dep-U Fr= 1--      0.5511                 0.8474                 0.4049
 Alpha2 Fr= 1--      0.0048                 0.0001                 0.0176
 Beta2  Fr= 1--      0.0560                 0.0401                 0.1014
 AlphaG Fr= 1--      0.0038                 0.0004                -0.0094
 Gamma2 Fr= 1--     -0.3532                 0.0437                -0.9679
 Delta2 Fr= 1--      0.2840                 0.2312                -0.3138
 Raman1 Fr= 1--       2.439                  1.136                  6.011
 ROA1   Fr= 1--     -24.821                 11.592               -102.963
 CID1   Fr= 1--     -10.177                 10.201                -17.130
 Raman2 Fr= 1--       0.672                  0.481                  1.217
 ROA2   Fr= 1--     -10.749                 -0.802                -20.720
 CID2   Fr= 1--     -15.995                 -1.666                -17.030
 Raman3 Fr= 1--       1.344                  0.963                  2.433
 ROA3   Fr= 1--     -24.821                 11.592               -102.963
 CID3   Fr= 1--     -18.468                 12.037                -42.312
 RC180  Fr= 1--       0.102                  0.695                 -0.190
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.01     0.02  -0.00  -0.01    -0.09  -0.03   0.03
     2   6     0.00  -0.02   0.02     0.02  -0.03  -0.01    -0.09   0.01   0.13
     3   6    -0.01  -0.03  -0.00     0.00  -0.04  -0.01    -0.03   0.05   0.02
     4   6    -0.03  -0.03   0.01    -0.02  -0.03  -0.01    -0.04   0.04   0.14
     5   6    -0.03   0.00  -0.01    -0.03  -0.01   0.00    -0.04   0.00   0.04
     6   6    -0.02   0.02  -0.02    -0.01   0.01   0.01    -0.08  -0.01  -0.13
     7   6    -0.01   0.01  -0.01     0.01  -0.02  -0.00     0.03   0.01  -0.09
     8   7     0.03   0.08   0.01     0.03   0.03   0.02     0.04  -0.03  -0.13
     9   6     0.02  -0.02   0.01    -0.01   0.05  -0.02     0.24  -0.03  -0.00
    10   1    -0.28  -0.38  -0.11     0.24   0.38   0.10     0.21   0.15  -0.05
    11   1    -0.06   0.03  -0.06    -0.02  -0.02   0.02     0.06   0.01  -0.08
    12   1     0.26   0.19   0.04     0.25   0.39   0.11     0.46  -0.03  -0.14
    13   1     0.08  -0.31   0.12     0.07  -0.33   0.10     0.24  -0.07   0.27
    14   1    -0.24   0.04  -0.12    -0.36   0.17  -0.28     0.30  -0.04   0.01
    15   1    -0.04  -0.04   0.03    -0.05  -0.05  -0.04    -0.04   0.03   0.22
    16   1    -0.05   0.01  -0.01    -0.05   0.00   0.00     0.01  -0.02   0.06
    17   1    -0.02   0.03  -0.03    -0.01   0.03   0.02    -0.07  -0.02  -0.30
    18   1     0.02   0.02   0.02     0.04   0.02  -0.01    -0.11  -0.04   0.04
    19   1     0.02  -0.03   0.03     0.04  -0.04  -0.02    -0.15   0.02   0.20
    20   1     0.60   0.15  -0.25    -0.31  -0.04   0.27    -0.23  -0.05  -0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    337.8994               412.9074               488.7767
 Red. masses --      3.4873                 2.9362                 3.0072
 Frc consts  --      0.2346                 0.2949                 0.4233
 IR Inten    --      3.2831                 0.2793                 3.0794
 RamAct Fr= 1--      1.2945                 0.0488                 4.2010
  Dep-P Fr= 1--      0.2762                 0.4065                 0.0528
  Dep-U Fr= 1--      0.4328                 0.5780                 0.1004
 Alpha2 Fr= 1--      0.0142                 0.0004                 0.0824
 Beta2  Fr= 1--      0.0934                 0.0047                 0.0703
 AlphaG Fr= 1--      0.0057                -0.0050                -0.0052
 Gamma2 Fr= 1--      0.9853                -0.3728                -0.2032
 Delta2 Fr= 1--      0.2460                -0.0274                -0.2141
 Raman1 Fr= 1--       5.178                  0.195                 16.804
 ROA1   Fr= 1--     102.459                -36.666                -26.361
 CID1   Fr= 1--      19.788               -187.945                 -1.569
 Raman2 Fr= 1--       1.121                  0.056                  0.843
 ROA2   Fr= 1--      21.678                 -8.728                 -3.164
 CID2   Fr= 1--      19.346               -154.807                 -3.752
 Raman3 Fr= 1--       2.241                  0.113                  1.686
 ROA3   Fr= 1--     102.459                -36.666                -26.361
 CID3   Fr= 1--      45.717               -325.160                -15.631
 RC180  Fr= 1--      -0.134                  0.156                 -0.799
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11  -0.01  -0.05     0.01   0.02  -0.20    -0.08  -0.05   0.00
     2   6    -0.10   0.04  -0.12    -0.01  -0.02   0.21    -0.05   0.01   0.00
     3   6    -0.03   0.06   0.03    -0.00   0.00  -0.00     0.05   0.06  -0.02
     4   6    -0.04   0.09  -0.13     0.01   0.02  -0.21    -0.03   0.10   0.01
     5   6    -0.04   0.02  -0.05    -0.00  -0.03   0.21    -0.04   0.03   0.02
     6   6    -0.10  -0.04   0.12     0.00   0.00  -0.00    -0.11  -0.03  -0.03
     7   6     0.04  -0.00   0.12    -0.00   0.00  -0.00     0.17  -0.12  -0.02
     8   7     0.26  -0.04  -0.05     0.00   0.00  -0.00     0.05  -0.03   0.21
     9   6     0.02  -0.07   0.12    -0.00  -0.00   0.00     0.04   0.03  -0.18
    10   1     0.55  -0.06   0.10    -0.02  -0.03  -0.01    -0.26  -0.02   0.05
    11   1     0.07  -0.01   0.14    -0.01   0.00  -0.00     0.24  -0.12  -0.06
    12   1     0.08  -0.10   0.07    -0.00  -0.01  -0.00    -0.21   0.16   0.07
    13   1     0.03  -0.17   0.13    -0.00  -0.00   0.00     0.02   0.18  -0.41
    14   1    -0.06  -0.09   0.20     0.01  -0.01   0.01     0.09   0.09  -0.40
    15   1    -0.03   0.10  -0.22     0.02   0.05  -0.45    -0.05   0.08   0.03
    16   1     0.02   0.00  -0.08    -0.01  -0.05   0.44     0.05  -0.01   0.04
    17   1    -0.10  -0.10   0.29     0.00   0.00  -0.02    -0.11  -0.05  -0.05
    18   1    -0.12  -0.02  -0.08     0.01   0.05  -0.46    -0.07  -0.04   0.03
    19   1    -0.16   0.08  -0.20    -0.01  -0.05   0.45    -0.16   0.05   0.03
    20   1     0.22  -0.03  -0.08     0.01   0.01  -0.02     0.27  -0.06   0.30
                     10                     11                     12
                      A                      A                      A
 Frequencies --    551.0679               598.3501               638.6372
 Red. masses --      2.8614                 3.0079                 6.3589
 Frc consts  --      0.5120                 0.6345                 1.5281
 IR Inten    --     20.9867                 8.0942                 0.0177
 RamAct Fr= 1--      0.3783                 1.6228                 4.2837
  Dep-P Fr= 1--      0.4221                 0.7204                 0.7259
  Dep-U Fr= 1--      0.5936                 0.8375                 0.8412
 Alpha2 Fr= 1--      0.0026                 0.0008                 0.0018
 Beta2  Fr= 1--      0.0374                 0.2265                 0.6005
 AlphaG Fr= 1--      0.0068                -0.0010                -0.0027
 Gamma2 Fr= 1--      0.0587                 0.4993                -0.0188
 Delta2 Fr= 1--      0.0009                 0.2392                -0.0234
 Raman1 Fr= 1--       1.513                  6.491                 17.135
 ROA1   Fr= 1--       5.660                 55.586                 -2.550
 CID1   Fr= 1--       3.740                  8.563                 -0.149
 Raman2 Fr= 1--       0.449                  2.718                  7.207
 ROA2   Fr= 1--       1.400                 10.069                 -0.263
 CID2   Fr= 1--       3.118                  3.704                 -0.037
 Raman3 Fr= 1--       0.898                  5.436                 14.413
 ROA3   Fr= 1--       5.660                 55.586                 -2.550
 CID3   Fr= 1--       6.301                 10.225                 -0.177
 RC180  Fr= 1--       0.187                  0.675                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.13     0.01  -0.09  -0.02     0.29  -0.21  -0.02
     2   6    -0.00   0.01   0.06     0.04  -0.17  -0.01     0.21   0.22   0.03
     3   6    -0.01  -0.03   0.26     0.16  -0.03   0.03    -0.00   0.13   0.02
     4   6    -0.00  -0.00   0.06    -0.01   0.01   0.01    -0.27   0.17   0.01
     5   6     0.01   0.01  -0.13    -0.06   0.08  -0.01    -0.22  -0.26  -0.04
     6   6     0.00  -0.02   0.19    -0.16   0.00   0.02     0.00  -0.14  -0.02
     7   6    -0.01  -0.03  -0.06     0.16   0.23   0.04     0.01   0.04   0.01
     8   7    -0.06   0.02  -0.01    -0.04  -0.01  -0.02    -0.01   0.02  -0.02
     9   6     0.07   0.00  -0.08    -0.00   0.01   0.01    -0.01   0.01   0.03
    10   1    -0.19   0.02  -0.08    -0.22  -0.09  -0.10    -0.02   0.00  -0.02
    11   1     0.03  -0.01  -0.14     0.14   0.21   0.10     0.04   0.03   0.01
    12   1     0.15   0.05  -0.09    -0.08  -0.15  -0.07    -0.00  -0.02   0.00
    13   1     0.05   0.06   0.08     0.05  -0.17  -0.28    -0.00  -0.01   0.01
    14   1     0.18   0.02  -0.18    -0.25  -0.06   0.32    -0.03  -0.00   0.08
    15   1     0.02   0.04  -0.26    -0.18  -0.12  -0.05    -0.15   0.26   0.03
    16   1     0.02   0.05  -0.49     0.01   0.06  -0.05    -0.06  -0.33  -0.03
    17   1     0.00  -0.03   0.20    -0.16   0.02   0.00    -0.06   0.29   0.04
    18   1     0.00   0.05  -0.49     0.17   0.04  -0.06     0.18  -0.30  -0.02
    19   1     0.01   0.04  -0.24    -0.04  -0.13  -0.04     0.05   0.28   0.04
    20   1    -0.05   0.01   0.01    -0.41   0.04  -0.24    -0.04   0.03  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    712.2166               764.0481               778.7930
 Red. masses --      1.6891                 3.4832                 1.9567
 Frc consts  --      0.5048                 1.1980                 0.6992
 IR Inten    --     50.6057                25.9129                20.2511
 RamAct Fr= 1--      0.0362                10.6094                 1.3029
  Dep-P Fr= 1--      0.7114                 0.0175                 0.5122
  Dep-U Fr= 1--      0.8314                 0.0345                 0.6774
 Alpha2 Fr= 1--      0.0000                 0.2263                 0.0061
 Beta2  Fr= 1--      0.0050                 0.0609                 0.1471
 AlphaG Fr= 1--      0.0000                -0.0319                -0.0115
 Gamma2 Fr= 1--      0.0018                 0.4354                 0.0766
 Delta2 Fr= 1--      0.0061                -0.0826                -0.0022
 Raman1 Fr= 1--       0.145                 42.438                  5.212
 ROA1   Fr= 1--       0.368                 39.156                  7.287
 CID1   Fr= 1--       2.542                  0.923                  1.398
 Raman2 Fr= 1--       0.060                  0.731                  1.765
 ROA2   Fr= 1--      -0.005                 11.111                  1.857
 CID2   Fr= 1--      -0.083                 15.198                  1.052
 Raman3 Fr= 1--       0.120                  1.462                  3.531
 ROA3   Fr= 1--       0.368                 39.156                  7.287
 CID3   Fr= 1--       3.058                 26.781                  2.064
 RC180  Fr= 1--       0.663                 -0.931                  0.355
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.02  -0.14     0.08  -0.15  -0.01    -0.01   0.01   0.01
     2   6    -0.00  -0.01   0.07     0.08  -0.12  -0.03    -0.00   0.02  -0.08
     3   6     0.00   0.01  -0.09     0.10   0.01   0.05    -0.01  -0.03   0.22
     4   6    -0.00  -0.01   0.06     0.04   0.18  -0.01    -0.00  -0.01  -0.09
     5   6     0.00   0.02  -0.14     0.07   0.18   0.03    -0.01  -0.02   0.01
     6   6    -0.00  -0.01   0.07    -0.16  -0.02  -0.03     0.02   0.02  -0.13
     7   6     0.00  -0.00   0.00    -0.12  -0.15  -0.03     0.00   0.02   0.00
     8   7    -0.00  -0.00  -0.00    -0.08   0.04  -0.08     0.01   0.00   0.01
     9   6     0.00   0.00   0.00    -0.07  -0.02   0.08     0.02  -0.01  -0.05
    10   1     0.05   0.03   0.02     0.21   0.15   0.05    -0.14  -0.04  -0.06
    11   1    -0.01  -0.00   0.02    -0.08  -0.12  -0.14     0.03   0.03  -0.04
    12   1    -0.02  -0.01   0.00     0.04   0.12   0.13     0.09  -0.01  -0.09
    13   1     0.00  -0.01  -0.03    -0.12   0.16   0.41     0.02   0.00   0.03
    14   1    -0.03  -0.00   0.02     0.18   0.03  -0.18     0.07  -0.01  -0.05
    15   1    -0.02  -0.06   0.51    -0.03   0.12   0.03    -0.00  -0.02   0.00
    16   1    -0.01  -0.03   0.22     0.30   0.08   0.12    -0.05  -0.06   0.50
    17   1    -0.02  -0.07   0.56    -0.15  -0.06   0.09    -0.00  -0.06   0.56
    18   1    -0.01  -0.03   0.21     0.25  -0.02   0.11    -0.03  -0.06   0.52
    19   1    -0.02  -0.06   0.50    -0.04  -0.08  -0.00     0.00   0.00   0.01
    20   1     0.04  -0.00   0.02     0.33   0.01   0.10    -0.15   0.01  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    852.3730               871.8380               916.5275
 Red. masses --      1.2717                 1.6578                 1.7408
 Frc consts  --      0.5444                 0.7424                 0.8616
 IR Inten    --     11.7229               181.8486                 1.1431
 RamAct Fr= 1--      2.6530                 7.3768                 4.5207
  Dep-P Fr= 1--      0.5337                 0.0742                 0.5379
  Dep-U Fr= 1--      0.6960                 0.1381                 0.6995
 Alpha2 Fr= 1--      0.0111                 0.1375                 0.0185
 Beta2  Fr= 1--      0.3077                 0.1698                 0.5271
 AlphaG Fr= 1--      0.0037                 0.0847                 0.0012
 Gamma2 Fr= 1--     -0.1148                -0.5472                 1.3064
 Delta2 Fr= 1--      0.2085                 0.0484                -0.5757
 Raman1 Fr= 1--      10.612                 29.507                 18.083
 ROA1   Fr= 1--      -4.344                -50.982                106.990
 CID1   Fr= 1--      -0.409                 -1.728                  5.917
 Raman2 Fr= 1--       3.693                  2.037                  6.325
 ROA2   Fr= 1--      -4.422                -13.519                 35.958
 CID2   Fr= 1--      -1.198                 -6.635                  5.685
 Raman3 Fr= 1--       7.385                  4.075                 12.649
 ROA3   Fr= 1--      -4.344                -50.982                106.990
 CID3   Fr= 1--      -0.588                -12.511                  8.458
 RC180  Fr= 1--       0.392                 -0.724                  0.399
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.07     0.02  -0.02   0.02    -0.03   0.03  -0.00
     2   6    -0.00  -0.01   0.07     0.00  -0.01   0.02    -0.01   0.01   0.08
     3   6    -0.00  -0.00   0.02    -0.00   0.00  -0.04     0.02   0.01  -0.05
     4   6     0.00   0.00  -0.09     0.00   0.03  -0.00    -0.01  -0.03   0.07
     5   6    -0.00   0.00  -0.06     0.02   0.04  -0.03    -0.01  -0.03  -0.02
     6   6     0.00   0.00   0.00    -0.01  -0.01   0.01     0.01   0.01  -0.07
     7   6     0.01   0.01   0.01    -0.07  -0.01  -0.07     0.10  -0.06  -0.04
     8   7    -0.04  -0.00  -0.01     0.17  -0.01   0.07    -0.01   0.04  -0.06
     9   6     0.01   0.00  -0.01    -0.06   0.00   0.02    -0.02  -0.02   0.14
    10   1     0.12   0.04   0.06    -0.55  -0.16  -0.25    -0.16   0.07  -0.14
    11   1     0.02  -0.00   0.04    -0.09  -0.01  -0.09     0.14  -0.03  -0.15
    12   1    -0.01  -0.01  -0.00     0.11   0.01  -0.07    -0.23   0.14   0.39
    13   1     0.02  -0.01  -0.06    -0.09   0.06   0.30    -0.04   0.10  -0.03
    14   1    -0.03   0.00   0.01     0.10  -0.01  -0.01    -0.02   0.05  -0.10
    15   1    -0.01  -0.06   0.52    -0.02  -0.00   0.14     0.00   0.02  -0.39
    16   1    -0.03  -0.06   0.44     0.06  -0.00   0.16    -0.04  -0.03   0.07
    17   1     0.00   0.01  -0.01    -0.01  -0.01  -0.05    -0.00  -0.07   0.46
    18   1     0.01   0.06  -0.46     0.04   0.01  -0.16    -0.07   0.01  -0.01
    19   1     0.02   0.06  -0.49    -0.00   0.01  -0.10     0.01   0.07  -0.43
    20   1     0.13  -0.00   0.02    -0.56  -0.01  -0.06    -0.08   0.03  -0.03
                     19                     20                     21
                      A                      A                      A
 Frequencies --    927.3685               957.6200               973.8325
 Red. masses --      1.6496                 1.3590                 1.2313
 Frc consts  --      0.8359                 0.7343                 0.6880
 IR Inten    --      1.5719                 0.4671                 0.1439
 RamAct Fr= 1--      3.0327                 0.1529                 0.0095
  Dep-P Fr= 1--      0.5757                 0.7356                 0.6662
  Dep-U Fr= 1--      0.7307                 0.8476                 0.7997
 Alpha2 Fr= 1--      0.0099                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3694                 0.0216                 0.0013
 AlphaG Fr= 1--     -0.0174                -0.0024                 0.0016
 Gamma2 Fr= 1--     -2.2278                 0.1989                 0.1789
 Delta2 Fr= 1--      0.1223                -0.1121                -0.0695
 Raman1 Fr= 1--      12.131                  0.612                  0.038
 ROA1   Fr= 1--    -209.951                 15.504                 14.948
 CID1   Fr= 1--     -17.307                 25.349                394.600
 Raman2 Fr= 1--       4.432                  0.259                  0.015
 ROA2   Fr= 1--     -54.445                  5.670                  4.849
 CID2   Fr= 1--     -12.284                 21.874                320.157
 Raman3 Fr= 1--       8.864                  0.518                  0.030
 ROA3   Fr= 1--    -209.951                 15.504                 14.948
 CID3   Fr= 1--     -23.685                 29.906                493.438
 RC180  Fr= 1--       0.461                  0.695                  0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.01     0.00  -0.01   0.08     0.00   0.01  -0.08
     2   6     0.00  -0.03   0.08     0.00   0.01  -0.08    -0.00  -0.00   0.04
     3   6    -0.03   0.00  -0.07    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   6    -0.00   0.01   0.08    -0.00  -0.01   0.09    -0.00  -0.00   0.03
     5   6     0.02   0.03   0.00     0.00   0.01  -0.10     0.00   0.01  -0.07
     6   6    -0.01   0.01  -0.07    -0.00  -0.00   0.00    -0.00  -0.01   0.08
     7   6    -0.09   0.04   0.01    -0.00   0.00   0.01    -0.00   0.00  -0.00
     8   7     0.02  -0.05   0.07    -0.01   0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01   0.04  -0.09     0.01  -0.00  -0.01     0.00   0.00  -0.00
    10   1     0.18  -0.06   0.15     0.05  -0.01   0.03     0.02  -0.00   0.01
    11   1    -0.18   0.00   0.20    -0.01   0.01  -0.00    -0.01  -0.00   0.01
    12   1     0.17  -0.15  -0.35    -0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   1     0.04  -0.13  -0.02     0.01  -0.01  -0.02     0.00  -0.01  -0.01
    14   1    -0.05  -0.04   0.19     0.01  -0.00  -0.02    -0.01  -0.00   0.01
    15   1     0.03   0.08  -0.38     0.02   0.05  -0.49     0.01   0.03  -0.24
    16   1     0.05   0.02  -0.03    -0.02  -0.06   0.56    -0.02  -0.05   0.47
    17   1    -0.02  -0.04   0.45    -0.00   0.01  -0.03     0.02   0.06  -0.53
    18   1     0.06  -0.01  -0.01     0.02   0.05  -0.46    -0.02  -0.07   0.55
    19   1     0.02   0.03  -0.43    -0.02  -0.05   0.43     0.01   0.04  -0.33
    20   1     0.15  -0.05   0.08     0.03   0.01  -0.01     0.03  -0.00   0.01
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1010.5476              1023.9451              1041.0364
 Red. masses --      1.4134                 4.7221                 1.9037
 Frc consts  --      0.8504                 2.9170                 1.2156
 IR Inten    --      2.6104                 1.7153                30.6733
 RamAct Fr= 1--      4.7716                69.8836                10.2336
  Dep-P Fr= 1--      0.5780                 0.0518                 0.1385
  Dep-U Fr= 1--      0.7326                 0.0984                 0.2432
 Alpha2 Fr= 1--      0.0154                 1.3746                 0.1629
 Beta2  Fr= 1--      0.5826                 1.1465                 0.4149
 AlphaG Fr= 1--     -0.0244                -0.0686                -0.0875
 Gamma2 Fr= 1--      1.4204                 0.9917                 0.8848
 Delta2 Fr= 1--     -0.1247                 0.2137                 1.4294
 Raman1 Fr= 1--      19.086                279.534                 40.935
 ROA1   Fr= 1--     132.364                102.043                130.681
 CID1   Fr= 1--       6.935                  0.365                  3.192
 Raman2 Fr= 1--       6.991                 13.758                  4.978
 ROA2   Fr= 1--      35.086                 22.092                  9.799
 CID2   Fr= 1--       5.019                  1.606                  1.968
 Raman3 Fr= 1--      13.982                 27.516                  9.957
 ROA3   Fr= 1--     132.364                102.043                130.681
 CID3   Fr= 1--       9.467                  3.709                 13.125
 RC180  Fr= 1--       0.465                 -0.803                 -0.514
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.00    -0.01   0.03   0.00    -0.04   0.07   0.01
     2   6     0.01   0.03  -0.01    -0.12  -0.29  -0.04    -0.02  -0.10  -0.01
     3   6     0.02  -0.01   0.03    -0.02  -0.03   0.02     0.07   0.05  -0.01
     4   6     0.01  -0.01  -0.01    -0.20   0.29   0.02    -0.00   0.02   0.01
     5   6    -0.00  -0.02  -0.00    -0.00  -0.01  -0.00    -0.04  -0.13  -0.02
     6   6    -0.03  -0.01   0.00     0.31   0.03   0.01     0.02   0.03   0.00
     7   6     0.06  -0.06  -0.09     0.01  -0.06   0.00     0.05   0.09  -0.05
     8   7     0.00  -0.02  -0.03     0.01   0.03  -0.03    -0.02  -0.06   0.05
     9   6    -0.05   0.10   0.05     0.05   0.03   0.02    -0.12  -0.01  -0.01
    10   1    -0.29   0.29  -0.21    -0.17   0.06  -0.12     0.19   0.01   0.13
    11   1     0.03  -0.14   0.24    -0.20  -0.07   0.17     0.33   0.10  -0.25
    12   1     0.10  -0.18  -0.25    -0.11  -0.07   0.04     0.24   0.08  -0.14
    13   1     0.01  -0.17   0.10     0.09  -0.11  -0.28    -0.18   0.15   0.56
    14   1    -0.17  -0.02   0.49    -0.17   0.01   0.15     0.26  -0.03  -0.09
    15   1     0.02  -0.01  -0.00    -0.15   0.34   0.03     0.10   0.10  -0.01
    16   1     0.01  -0.03   0.02     0.06  -0.02   0.01    -0.05  -0.13  -0.02
    17   1    -0.02  -0.04  -0.03     0.33  -0.02  -0.00     0.00   0.14   0.02
    18   1    -0.04   0.02  -0.01    -0.01   0.02   0.00     0.08   0.17   0.02
    19   1     0.03   0.02   0.08    -0.06  -0.33  -0.01     0.00  -0.11  -0.02
    20   1     0.28  -0.12   0.37    -0.05   0.00   0.04     0.21  -0.05   0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1056.8309              1106.9925              1139.3551
 Red. masses --      1.9794                 1.5828                 2.4610
 Frc consts  --      1.3025                 1.1428                 1.8822
 IR Inten    --      0.3809                 8.7004                 7.4261
 RamAct Fr= 1--     15.9698                 1.6777                 7.2417
  Dep-P Fr= 1--      0.0390                 0.0706                 0.7411
  Dep-U Fr= 1--      0.0750                 0.1320                 0.8513
 Alpha2 Fr= 1--      0.3238                 0.0315                 0.0011
 Beta2  Fr= 1--      0.1997                 0.0369                 1.0275
 AlphaG Fr= 1--      0.0309                 0.0102                 0.0148
 Gamma2 Fr= 1--     -0.7654                 0.2194                -2.4969
 Delta2 Fr= 1--     -0.4805                 0.1641                -0.6164
 Raman1 Fr= 1--      63.879                  6.711                 28.967
 ROA1   Fr= 1--     -88.853                 26.317               -259.425
 CID1   Fr= 1--      -1.391                  3.922                 -8.956
 Raman2 Fr= 1--       2.396                  0.443                 12.330
 ROA2   Fr= 1--     -14.526                  3.954                -54.994
 CID2   Fr= 1--      -6.063                  8.930                 -4.460
 Raman3 Fr= 1--       4.792                  0.886                 24.659
 ROA3   Fr= 1--     -88.853                 26.317               -259.425
 CID3   Fr= 1--     -18.542                 29.719                -10.520
 RC180  Fr= 1--      -0.850                 -0.736                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.16   0.02     0.08  -0.05  -0.00    -0.01   0.00   0.00
     2   6     0.07  -0.03   0.00    -0.10  -0.05  -0.01    -0.02  -0.00   0.01
     3   6    -0.01  -0.02  -0.00    -0.06   0.04   0.01     0.07   0.02  -0.05
     4   6     0.03   0.07   0.01     0.11  -0.02  -0.00     0.03  -0.01   0.01
     5   6     0.02  -0.14  -0.02    -0.03  -0.05  -0.01    -0.03  -0.02  -0.00
     6   6    -0.14  -0.03  -0.01    -0.03   0.08   0.01     0.01   0.01  -0.00
     7   6    -0.04  -0.03   0.04    -0.02  -0.01  -0.02     0.05  -0.10   0.26
     8   7     0.01   0.03  -0.01     0.02  -0.00  -0.01    -0.02   0.10  -0.10
     9   6     0.05  -0.00  -0.01     0.03   0.00   0.02    -0.05  -0.03  -0.12
    10   1    -0.05  -0.05  -0.03    -0.09   0.04  -0.07    -0.28   0.09  -0.22
    11   1    -0.19  -0.03   0.10    -0.01  -0.03   0.04     0.07  -0.16   0.51
    12   1    -0.08  -0.02   0.04    -0.09  -0.01   0.08     0.27  -0.01  -0.28
    13   1     0.06  -0.05  -0.20     0.05  -0.03  -0.16    -0.07   0.00   0.29
    14   1    -0.07   0.01  -0.02    -0.08   0.02   0.01     0.28  -0.07  -0.14
    15   1     0.27   0.26   0.04     0.45   0.24   0.05     0.03  -0.01  -0.04
    16   1     0.39  -0.30  -0.02    -0.19   0.01  -0.00    -0.14   0.02  -0.01
    17   1    -0.15  -0.08  -0.02    -0.10   0.53   0.06     0.00   0.09   0.02
    18   1     0.21   0.36   0.05     0.31   0.11   0.03    -0.04  -0.02  -0.01
    19   1     0.40  -0.15  -0.01    -0.41   0.06   0.01    -0.17   0.07  -0.06
    20   1    -0.15   0.04  -0.08     0.01  -0.03   0.08    -0.14   0.09  -0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1184.4601              1205.1907              1213.7678
 Red. masses --      1.1162                 1.1708                 2.1272
 Frc consts  --      0.9226                 1.0020                 1.8464
 IR Inten    --      0.1795                 0.0201                 3.6702
 RamAct Fr= 1--      4.1838                 8.1588                17.9967
  Dep-P Fr= 1--      0.7422                 0.1654                 0.1051
  Dep-U Fr= 1--      0.8520                 0.2839                 0.1902
 Alpha2 Fr= 1--      0.0006                 0.1213                 0.3112
 Beta2  Fr= 1--      0.5941                 0.3860                 0.5705
 AlphaG Fr= 1--      0.0008                 0.0622                 0.0497
 Gamma2 Fr= 1--     -0.1866                 0.0626                 0.5641
 Delta2 Fr= 1--      0.0386                -0.0395                 0.1817
 Raman1 Fr= 1--      16.735                 32.635                 71.987
 ROA1   Fr= 1--     -16.675                  4.752                 59.966
 CID1   Fr= 1--      -0.996                  0.146                  0.833
 Raman2 Fr= 1--       7.129                  4.632                  6.846
 ROA2   Fr= 1--      -4.787                  1.819                 12.084
 CID2   Fr= 1--      -0.671                  0.393                  1.765
 Raman3 Fr= 1--      14.258                  9.264                 13.692
 ROA3   Fr= 1--     -16.675                  4.752                 59.966
 CID3   Fr= 1--      -1.169                  0.513                  4.380
 RC180  Fr= 1--       0.704                 -0.432                 -0.620
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.00    -0.02  -0.04  -0.01    -0.07   0.03   0.00
     2   6     0.01  -0.01  -0.00     0.05  -0.03  -0.00     0.03   0.02   0.00
     3   6     0.01   0.00   0.00    -0.06  -0.00  -0.00     0.24  -0.01   0.01
     4   6    -0.00  -0.01  -0.00     0.03   0.03   0.00     0.07   0.04   0.01
     5   6     0.04  -0.02  -0.00    -0.03   0.04   0.00    -0.09  -0.05  -0.01
     6   6    -0.01   0.07   0.01    -0.01  -0.00  -0.00     0.01   0.00   0.00
     7   6    -0.01  -0.00   0.00     0.02   0.02   0.01    -0.08  -0.08  -0.04
     8   7     0.00   0.00  -0.00     0.00  -0.00  -0.01    -0.01   0.01   0.03
     9   6     0.00   0.00  -0.00    -0.01  -0.01  -0.00     0.02   0.04   0.00
    10   1    -0.00  -0.00  -0.00    -0.05   0.04  -0.03     0.19  -0.18   0.15
    11   1    -0.01  -0.01   0.01     0.10   0.01   0.03    -0.45   0.00  -0.16
    12   1    -0.01  -0.00   0.00     0.02   0.02   0.01    -0.07  -0.07  -0.03
    13   1     0.00  -0.00  -0.01    -0.01   0.02   0.01     0.04  -0.08  -0.05
    14   1    -0.01   0.00   0.00     0.04  -0.00  -0.04    -0.14   0.01   0.13
    15   1    -0.13  -0.10  -0.02     0.41   0.32   0.05     0.12   0.07   0.02
    16   1     0.43  -0.17  -0.01    -0.39   0.18   0.01    -0.45   0.08  -0.01
    17   1    -0.10   0.66   0.07    -0.01  -0.03  -0.00    -0.00   0.07   0.01
    18   1    -0.40  -0.31  -0.05    -0.31  -0.27  -0.04    -0.36  -0.18  -0.03
    19   1     0.16  -0.07  -0.00     0.54  -0.22  -0.01    -0.21   0.12   0.01
    20   1    -0.00   0.00   0.00     0.02  -0.02   0.04    -0.15   0.07  -0.19
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1267.1470              1309.0859              1354.1959
 Red. masses --      1.7513                 2.2104                 2.3234
 Frc consts  --      1.6568                 2.2319                 2.5104
 IR Inten    --     10.6710                 8.1742                 1.4248
 RamAct Fr= 1--     14.8706                 1.3277                 1.1116
  Dep-P Fr= 1--      0.0964                 0.7496                 0.5741
  Dep-U Fr= 1--      0.1758                 0.8569                 0.7295
 Alpha2 Fr= 1--      0.2627                 0.0000                 0.0037
 Beta2  Fr= 1--      0.4357                 0.1896                 0.1351
 AlphaG Fr= 1--     -0.1951                 0.0006                -0.0027
 Gamma2 Fr= 1--     -2.3377                 1.6934                 0.3181
 Delta2 Fr= 1--      0.2238                -0.3972                -0.6444
 Raman1 Fr= 1--      59.482                  5.311                  4.446
 ROA1   Fr= 1--    -217.257                149.855                  9.920
 CID1   Fr= 1--      -3.652                 28.217                  2.231
 Raman2 Fr= 1--       5.228                  2.275                  1.622
 ROA2   Fr= 1--     -57.895                 43.819                 12.791
 CID2   Fr= 1--     -11.073                 19.257                  7.887
 Raman3 Fr= 1--      10.457                  4.551                  3.243
 ROA3   Fr= 1--    -217.257                149.855                  9.920
 CID3   Fr= 1--     -20.777                 32.929                  3.058
 RC180  Fr= 1--      -0.648                  0.714                  0.459
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01   0.00    -0.08  -0.07  -0.01    -0.09  -0.06  -0.01
     2   6     0.04  -0.02  -0.00     0.06  -0.06  -0.00     0.17  -0.04  -0.00
     3   6     0.09   0.05   0.01     0.01   0.21   0.01    -0.03   0.04   0.01
     4   6    -0.00  -0.01   0.00    -0.03  -0.06  -0.01    -0.15  -0.09  -0.01
     5   6    -0.01  -0.03  -0.00     0.07  -0.06  -0.00     0.11  -0.03   0.00
     6   6     0.01   0.01   0.00    -0.00   0.07   0.01    -0.02   0.17   0.02
     7   6    -0.13   0.13  -0.02    -0.12  -0.08   0.03     0.06   0.00  -0.02
     8   7     0.04  -0.05  -0.03     0.02   0.04  -0.00    -0.00  -0.00   0.01
     9   6     0.05  -0.10   0.01     0.05   0.06  -0.00    -0.02  -0.01   0.01
    10   1    -0.24   0.22  -0.19    -0.00  -0.10   0.01     0.03  -0.01   0.02
    11   1    -0.09  -0.01   0.50     0.59  -0.12  -0.22    -0.35   0.03   0.10
    12   1    -0.09   0.10   0.24    -0.09  -0.13  -0.08     0.04   0.03   0.00
    13   1    -0.01   0.20  -0.13     0.08  -0.12  -0.12    -0.02  -0.02   0.01
    14   1    -0.00   0.01  -0.32    -0.15   0.03   0.14     0.09  -0.01  -0.03
    15   1    -0.14  -0.12  -0.03    -0.24  -0.22  -0.03     0.41   0.35   0.06
    16   1    -0.12   0.01  -0.01    -0.31   0.09  -0.00     0.13  -0.03   0.00
    17   1     0.01  -0.06  -0.01     0.01  -0.05  -0.01     0.05  -0.34  -0.04
    18   1    -0.05  -0.00  -0.00     0.20   0.14   0.02    -0.09  -0.06  -0.01
    19   1    -0.01   0.01   0.00     0.24  -0.14  -0.02    -0.49   0.22   0.02
    20   1     0.25  -0.16   0.39    -0.09   0.03  -0.03    -0.03   0.02  -0.06
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1379.4214              1400.4956              1410.4182
 Red. masses --      1.4056                 1.2045                 1.2753
 Frc consts  --      1.5758                 1.3920                 1.4948
 IR Inten    --      3.0787                 3.2215                 7.9655
 RamAct Fr= 1--      4.4270                 2.6271                 2.6871
  Dep-P Fr= 1--      0.4147                 0.6606                 0.6028
  Dep-U Fr= 1--      0.5863                 0.7956                 0.7522
 Alpha2 Fr= 1--      0.0311                 0.0042                 0.0073
 Beta2  Fr= 1--      0.4326                 0.3484                 0.3369
 AlphaG Fr= 1--      0.0397                 0.0050                 0.0081
 Gamma2 Fr= 1--     -1.4010                 1.6371                 0.5308
 Delta2 Fr= 1--     -0.9366                 0.7243                 0.3773
 Raman1 Fr= 1--      17.708                 10.508                 10.748
 ROA1   Fr= 1--    -164.470                180.342                 63.026
 CID1   Fr= 1--      -9.288                 17.162                  5.864
 Raman2 Fr= 1--       5.191                  4.180                  4.042
 ROA2   Fr= 1--     -26.132                 33.497                  9.720
 CID2   Fr= 1--      -5.034                  8.013                  2.405
 Raman3 Fr= 1--      10.382                  8.361                  8.085
 ROA3   Fr= 1--    -164.470                180.342                 63.026
 CID3   Fr= 1--     -15.841                 21.570                  7.796
 RC180  Fr= 1--       0.173                  0.591                  0.504
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.01     0.03   0.02   0.00    -0.01  -0.01  -0.00
     2   6    -0.02   0.01  -0.00     0.00  -0.01  -0.00     0.00   0.01   0.00
     3   6    -0.03   0.07   0.02     0.00  -0.03   0.00    -0.01   0.01  -0.01
     4   6     0.01   0.01   0.00    -0.00  -0.01  -0.00    -0.01  -0.00   0.00
     5   6     0.05  -0.02  -0.00    -0.04   0.02   0.00     0.02  -0.00   0.00
     6   6     0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00   0.00  -0.00
     7   6     0.09  -0.02  -0.10    -0.04  -0.00  -0.07     0.01   0.01   0.07
     8   7    -0.02   0.02   0.03    -0.01   0.04   0.02     0.01  -0.03  -0.02
     9   6    -0.03  -0.03  -0.01     0.04  -0.01  -0.05     0.05  -0.01  -0.12
    10   1     0.16  -0.11   0.13     0.12  -0.17   0.11    -0.11   0.09  -0.09
    11   1    -0.44  -0.10   0.51     0.49  -0.22   0.45    -0.27   0.16  -0.32
    12   1    -0.02   0.09   0.09    -0.25   0.07   0.19    -0.33   0.20   0.31
    13   1    -0.05   0.05   0.15    -0.01   0.08   0.31    -0.00   0.09   0.47
    14   1     0.05  -0.04   0.02    -0.19  -0.05   0.19    -0.22  -0.12   0.41
    15   1    -0.20  -0.16  -0.01     0.13   0.09   0.01    -0.01  -0.00  -0.01
    16   1    -0.25   0.09   0.00     0.16  -0.06  -0.00    -0.05   0.03   0.00
    17   1    -0.03   0.19   0.02     0.02  -0.13  -0.01    -0.01   0.04   0.00
    18   1     0.23   0.16   0.03    -0.13  -0.10  -0.02     0.06   0.04   0.01
    19   1     0.27  -0.11   0.01    -0.13   0.04   0.01     0.05  -0.01  -0.01
    20   1    -0.09   0.08  -0.20    -0.11   0.08  -0.13     0.07  -0.07   0.13
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1490.8963              1491.9418              1496.3806
 Red. masses --      1.4810                 1.2224                 1.1326
 Frc consts  --      1.9395                 1.6031                 1.4942
 IR Inten    --      3.2431                12.5479                 1.7831
 RamAct Fr= 1--      2.0748                 3.2041                 4.7467
  Dep-P Fr= 1--      0.7499                 0.6951                 0.6793
  Dep-U Fr= 1--      0.8571                 0.8202                 0.8090
 Alpha2 Fr= 1--      0.0000                 0.0031                 0.0059
 Beta2  Fr= 1--      0.2964                 0.4380                 0.6400
 AlphaG Fr= 1--      0.0003                 0.0066                -0.0473
 Gamma2 Fr= 1--      4.0458                -4.4311                -1.3927
 Delta2 Fr= 1--     -1.1306                 1.6402                -1.8068
 Raman1 Fr= 1--       8.299                 12.816                 18.987
 ROA1   Fr= 1--     352.215               -372.899               -191.518
 CID1   Fr= 1--      42.440                -29.095                -10.087
 Raman2 Fr= 1--       3.557                  5.256                  7.680
 ROA2   Fr= 1--     106.143               -119.468                -18.970
 CID2   Fr= 1--      29.844                -22.731                 -2.470
 Raman3 Fr= 1--       7.113                 10.511                 15.361
 ROA3   Fr= 1--     352.215               -372.899               -191.518
 CID3   Fr= 1--      49.516                -35.475                -12.468
 RC180  Fr= 1--       0.714                  0.640                  0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.01   0.00    -0.06  -0.00  -0.00     0.03  -0.00   0.00
     2   6    -0.04  -0.05  -0.01     0.04   0.02   0.00    -0.02  -0.01  -0.00
     3   6    -0.02   0.10   0.01     0.01  -0.06  -0.01    -0.01   0.04   0.00
     4   6     0.07  -0.02  -0.00    -0.04   0.02   0.00     0.02  -0.01  -0.00
     5   6    -0.08  -0.03  -0.01     0.05   0.01   0.00    -0.03  -0.01  -0.00
     6   6    -0.02   0.08   0.01     0.01  -0.05  -0.01    -0.01   0.04   0.00
     7   6    -0.00  -0.03  -0.01    -0.03  -0.00  -0.00     0.03  -0.03   0.01
     8   7     0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.00   0.00   0.00
     9   6    -0.04  -0.01  -0.02    -0.02  -0.04  -0.01     0.03  -0.03   0.02
    10   1     0.01  -0.04   0.01     0.02  -0.05   0.02     0.01   0.02   0.00
    11   1    -0.15  -0.00  -0.02     0.20  -0.04  -0.02    -0.12   0.01  -0.05
    12   1     0.23   0.42   0.19     0.45   0.42   0.08     0.25  -0.15  -0.23
    13   1     0.00  -0.07  -0.28    -0.08   0.37  -0.33    -0.12   0.62   0.04
    14   1     0.31  -0.16   0.37    -0.05  -0.13   0.39    -0.60   0.08  -0.09
    15   1    -0.09  -0.15  -0.01     0.04   0.08   0.01    -0.01  -0.04  -0.01
    16   1     0.16  -0.13  -0.01    -0.14   0.09   0.01     0.08  -0.06  -0.00
    17   1     0.05  -0.39  -0.04    -0.04   0.24   0.03     0.02  -0.16  -0.02
    18   1    -0.19  -0.21  -0.03     0.09   0.12   0.02    -0.05  -0.08  -0.01
    19   1     0.06  -0.10  -0.01    -0.09   0.08   0.01     0.06  -0.05  -0.00
    20   1    -0.01  -0.01   0.03    -0.03   0.00   0.02    -0.01   0.02  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1532.7138              1629.5175              1647.5853
 Red. masses --      2.1769                 5.3851                 5.4922
 Frc consts  --      3.0131                 8.4248                 8.7840
 IR Inten    --      8.1307                 0.6492                 3.9181
 RamAct Fr= 1--      0.1038                 9.5133                55.7030
  Dep-P Fr= 1--      0.6096                 0.6798                 0.5937
  Dep-U Fr= 1--      0.7575                 0.8094                 0.7451
 Alpha2 Fr= 1--      0.0003                 0.0118                 0.1619
 Beta2  Fr= 1--      0.0131                 1.2833                 6.9171
 AlphaG Fr= 1--      0.0004                 0.0139                 0.1170
 Gamma2 Fr= 1--      0.2709                -0.9187                 2.0757
 Delta2 Fr= 1--     -0.1122                 0.0844                 0.0441
 Raman1 Fr= 1--       0.415                 38.053                222.812
 ROA1   Fr= 1--      22.410                -85.494                200.677
 CID1   Fr= 1--      53.977                 -2.247                  0.901
 Raman2 Fr= 1--       0.157                 15.399                 83.005
 ROA2   Fr= 1--       7.398                -22.723                 49.464
 CID2   Fr= 1--      47.053                 -1.476                  0.596
 Raman3 Fr= 1--       0.314                 30.799                166.009
 ROA3   Fr= 1--      22.410                -85.494                200.677
 CID3   Fr= 1--      71.261                 -2.776                  1.209
 RC180  Fr= 1--       0.515                  0.619                  0.490
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.12  -0.02    -0.03  -0.21  -0.02    -0.26  -0.12  -0.02
     2   6    -0.09   0.08   0.01    -0.14   0.17   0.02     0.29  -0.04   0.00
     3   6     0.13   0.03   0.01     0.06  -0.29  -0.03    -0.21  -0.04  -0.01
     4   6    -0.05  -0.11  -0.01     0.05   0.19   0.02     0.28   0.13   0.02
     5   6    -0.13   0.09   0.01     0.11  -0.19  -0.02    -0.28   0.02  -0.01
     6   6     0.10   0.02   0.01    -0.05   0.35   0.04     0.13   0.04   0.01
     7   6    -0.02  -0.01  -0.00    -0.02   0.04   0.01     0.02   0.01   0.00
     8   7    -0.00   0.00  -0.00    -0.00  -0.01   0.00     0.00  -0.01   0.01
     9   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.01
    10   1     0.01  -0.02   0.01    -0.01   0.07  -0.01    -0.02   0.08  -0.01
    11   1    -0.06  -0.00   0.00     0.25  -0.01   0.01     0.03   0.00  -0.01
    12   1     0.04   0.05   0.02    -0.01  -0.00   0.01    -0.02  -0.00   0.00
    13   1    -0.00  -0.01  -0.06     0.00  -0.02  -0.00     0.00   0.01   0.03
    14   1     0.04  -0.02   0.04     0.02   0.00  -0.02    -0.02  -0.00   0.00
    15   1     0.40   0.22   0.04    -0.28  -0.06  -0.02    -0.29  -0.31  -0.04
    16   1     0.47  -0.14  -0.00    -0.24  -0.07  -0.01     0.27  -0.20  -0.01
    17   1     0.13  -0.00   0.00     0.07  -0.47  -0.05     0.16  -0.01   0.01
    18   1     0.39   0.24   0.04     0.24  -0.02   0.00     0.22   0.26   0.04
    19   1     0.43  -0.11  -0.00     0.32  -0.00   0.01    -0.31   0.21   0.02
    20   1    -0.01  -0.00   0.02     0.03   0.01  -0.05     0.02   0.02  -0.07
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1659.7761              3023.8511              3033.0129
 Red. masses --      1.0940                 1.0776                 1.0434
 Frc consts  --      1.7757                 5.8056                 5.6555
 IR Inten    --     26.8895                12.2365                26.0649
 RamAct Fr= 1--      3.8511               145.6020                98.2910
  Dep-P Fr= 1--      0.7227                 0.1017                 0.0691
  Dep-U Fr= 1--      0.8390                 0.1847                 0.1292
 Alpha2 Fr= 1--      0.0018                 2.5385                 1.8549
 Beta2  Fr= 1--      0.5385                 4.4812                 2.1169
 AlphaG Fr= 1--      0.0168                 0.7412                -0.2387
 Gamma2 Fr= 1--      0.6577                -0.5339                 0.6903
 Delta2 Fr= 1--      0.8647                -1.1616                -0.4992
 Raman1 Fr= 1--      15.404                582.408                393.164
 ROA1   Fr= 1--      90.814                -88.421                 50.299
 CID1   Fr= 1--       5.895                 -0.152                  0.128
 Raman2 Fr= 1--       6.462                 53.774                 25.403
 ROA2   Fr= 1--       8.868                 -3.520                 20.562
 CID2   Fr= 1--       1.372                 -0.065                  0.809
 Raman3 Fr= 1--      12.924                107.549                 50.806
 ROA3   Fr= 1--      90.814                -88.421                 50.299
 CID3   Fr= 1--       7.027                 -0.822                  0.990
 RC180  Fr= 1--       0.678                 -0.631                 -0.742
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.01  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.03  -0.01   0.00    -0.01  -0.07  -0.02    -0.01  -0.03  -0.01
     8   7     0.01  -0.05   0.05     0.00   0.00   0.00     0.00   0.00   0.00
     9   6     0.00  -0.00  -0.01    -0.00   0.02   0.01     0.02  -0.02  -0.04
    10   1    -0.08   0.69  -0.09     0.00  -0.00   0.00     0.00   0.00   0.00
    11   1     0.05  -0.03   0.03     0.13   0.86   0.22     0.06   0.38   0.10
    12   1    -0.00   0.04   0.03    -0.05   0.07  -0.08     0.19  -0.27   0.31
    13   1     0.01  -0.01  -0.02     0.12   0.03   0.01    -0.47  -0.10  -0.03
    14   1     0.01  -0.02   0.04    -0.05  -0.39  -0.11     0.08   0.61   0.17
    15   1     0.02   0.01  -0.00    -0.01   0.01   0.00     0.01  -0.01  -0.00
    16   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.01  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   1     0.00  -0.00  -0.00    -0.01  -0.02  -0.00    -0.01  -0.01  -0.00
    20   1     0.14   0.16  -0.67    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3094.8401              3115.2295              3156.3850
 Red. masses --      1.0978                 1.1031                 1.0863
 Frc consts  --      6.1952                 6.3076                 6.3766
 IR Inten    --     30.6352                23.2187                 9.1774
 RamAct Fr= 1--     84.2052               112.1167                29.1155
  Dep-P Fr= 1--      0.3218                 0.6639                 0.2498
  Dep-U Fr= 1--      0.4869                 0.7980                 0.3997
 Alpha2 Fr= 1--      0.8082                 0.1719                 0.3453
 Beta2  Fr= 1--      6.8338                14.9115                 1.9397
 AlphaG Fr= 1--     -0.1108                 0.0495                -0.0094
 Gamma2 Fr= 1--     -1.7446                 2.3874                -0.5598
 Delta2 Fr= 1--     -7.3282                 8.1143                -0.2036
 Raman1 Fr= 1--     336.821                448.467                116.462
 ROA1   Fr= 1--    -401.982                488.844                -60.251
 CID1   Fr= 1--      -1.193                  1.090                 -0.517
 Raman2 Fr= 1--      82.006                178.939                 23.276
 ROA2   Fr= 1--      16.756                 -7.618                -11.806
 CID2   Fr= 1--       0.204                 -0.043                 -0.507
 Raman3 Fr= 1--     164.012                357.877                 46.553
 ROA3   Fr= 1--    -401.982                488.844                -60.251
 CID3   Fr= 1--      -2.451                  1.366                 -1.294
 RC180  Fr= 1--      -0.026                  0.596                 -0.201
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.02   0.03   0.00
     2   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.02  -0.06  -0.01
     3   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.02   0.02   0.00
     5   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01  -0.02  -0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.02   0.00   0.00
     7   6    -0.00  -0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     9   6    -0.03  -0.08   0.01    -0.08   0.02  -0.04    -0.00   0.00  -0.00
    10   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   1     0.02   0.15   0.04     0.00   0.00   0.00     0.01   0.02   0.01
    12   1    -0.23   0.29  -0.37     0.30  -0.42   0.50     0.00  -0.00   0.00
    13   1     0.52   0.09   0.03     0.67   0.15   0.03     0.00   0.00  -0.00
    14   1     0.07   0.61   0.18    -0.02   0.01  -0.01    -0.00  -0.00  -0.00
    15   1     0.02  -0.02  -0.00    -0.01   0.01   0.00     0.22  -0.28  -0.02
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.09   0.24   0.03
    17   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.20  -0.03  -0.01
    18   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.24  -0.31  -0.03
    19   1    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.28   0.72   0.09
    20   1    -0.00  -0.00  -0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3158.9430              3172.4675              3180.9528
 Red. masses --      1.0866                 1.0889                 1.0931
 Frc consts  --      6.3883                 6.4568                 6.5166
 IR Inten    --      5.8521                 3.1966                31.6049
 RamAct Fr= 1--     82.0341               136.2303                51.3400
  Dep-P Fr= 1--      0.7479                 0.4602                 0.7500
  Dep-U Fr= 1--      0.8558                 0.6303                 0.8571
 Alpha2 Fr= 1--      0.0029                 0.8011                 0.0000
 Beta2  Fr= 1--     11.7003                14.3116                 7.3342
 AlphaG Fr= 1--     -0.0046                -0.0177                 0.0002
 Gamma2 Fr= 1--     -0.2362                -0.5950                 0.0967
 Delta2 Fr= 1--     -1.2060                -1.2399                 0.6753
 Raman1 Fr= 1--     328.136                544.921                205.360
 ROA1   Fr= 1--     -61.270                -96.796                 30.892
 CID1   Fr= 1--      -0.187                 -0.178                  0.150
 Raman2 Fr= 1--     140.404                171.740                 88.011
 ROA2   Fr= 1--       3.978                 -4.360                 -3.081
 CID2   Fr= 1--       0.028                 -0.025                 -0.035
 Raman3 Fr= 1--     280.808                343.479                176.022
 ROA3   Fr= 1--     -61.270                -96.796                 30.892
 CID3   Fr= 1--      -0.218                 -0.282                  0.175
 RC180  Fr= 1--       0.712                  0.261                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.02  -0.03  -0.00     0.04  -0.04  -0.00
     2   6    -0.01  -0.04  -0.00    -0.01  -0.03  -0.00    -0.01  -0.02  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.04  -0.05  -0.00    -0.02   0.03   0.00     0.02  -0.02  -0.00
     5   6     0.01   0.03   0.00     0.01   0.03   0.00    -0.02  -0.05  -0.01
     6   6    -0.01  -0.00  -0.00    -0.05  -0.01  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     9   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1     0.00   0.01   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    12   1    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    14   1     0.00   0.02   0.01    -0.00  -0.01  -0.00     0.00   0.01   0.00
    15   1    -0.48   0.62   0.05     0.23  -0.30  -0.03    -0.18   0.23   0.02
    16   1    -0.14  -0.36  -0.05    -0.14  -0.35  -0.05     0.24   0.60   0.08
    17   1     0.09   0.01   0.00     0.64   0.09   0.03     0.02  -0.00   0.00
    18   1     0.08  -0.10  -0.01    -0.26   0.33   0.03    -0.40   0.51   0.05
    19   1     0.16   0.41   0.05     0.12   0.30   0.04     0.09   0.22   0.03
    20   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3193.8316              3478.1368              3555.2504
 Red. masses --      1.0973                 1.0485                 1.0929
 Frc consts  --      6.5947                 7.4732                 8.1390
 IR Inten    --     16.1824                 1.4087                 0.5000
 RamAct Fr= 1--    317.6919               105.9657                43.0978
  Dep-P Fr= 1--      0.1110                 0.0604                 0.7003
  Dep-U Fr= 1--      0.1998                 0.1139                 0.8237
 Alpha2 Fr= 1--      5.4142                 2.0419                 0.0374
 Beta2  Fr= 1--     10.5788                 2.0112                 5.9166
 AlphaG Fr= 1--     -0.0959                -0.2796                -0.1316
 Gamma2 Fr= 1--     -0.4419                -0.8865                 0.3550
 Delta2 Fr= 1--     -0.1108                -1.9616                 1.4677
 Raman1 Fr= 1--    1270.768                423.863                172.391
 ROA1   Fr= 1--     -45.970               -147.874                 81.045
 CID1   Fr= 1--      -0.036                 -0.349                  0.470
 Raman2 Fr= 1--     126.946                 24.134                 71.000
 ROA2   Fr= 1--      -9.719                 -5.582                 -3.222
 CID2   Fr= 1--      -0.077                 -0.231                 -0.045
 Raman3 Fr= 1--     253.892                 48.268                141.999
 ROA3   Fr= 1--     -45.970               -147.874                 81.045
 CID3   Fr= 1--      -0.181                 -3.064                  0.571
 RC180  Fr= 1--      -0.600                 -0.772                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.04   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.01   0.01   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.01  -0.04  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6    -0.06  -0.01  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     8   7    -0.00   0.00  -0.00    -0.02  -0.04   0.03     0.02  -0.05  -0.06
     9   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   1     0.00   0.00  -0.00     0.29  -0.08  -0.60    -0.34   0.05   0.65
    11   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.00   0.01   0.00
    12   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    15   1    -0.09   0.11   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    16   1     0.16   0.42   0.05    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    17   1     0.72   0.10   0.03    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   1     0.29  -0.38  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
    19   1    -0.05  -0.12  -0.02     0.00   0.00  -0.00     0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.03   0.70   0.20     0.00   0.65   0.16

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  7 and mass  14.00307
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   121.08915 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   525.114091659.442701822.33125
           X            0.99994  -0.00194  -0.01109
           Y            0.00196   1.00000   0.00193
           Z            0.01108  -0.00195   0.99994
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16494     0.05219     0.04753
 Rotational constants (GHZ):           3.43686     1.08756     0.99035
 Zero-point vibrational energy     455728.5 (Joules/Mol)
                                  108.92173 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     35.61   184.43   305.35   358.58   381.45
          (Kelvin)            453.92   486.16   594.08   703.24   792.86
                              860.89   918.86  1024.72  1099.29  1120.51
                             1226.37  1254.38  1318.68  1334.28  1377.80
                             1401.13  1453.95  1473.23  1497.82  1520.54
                             1592.72  1639.28  1704.17  1734.00  1746.34
                             1823.14  1883.48  1948.39  1984.68  2015.00
                             2029.28  2145.07  2146.57  2152.96  2205.23
                             2344.51  2370.51  2388.05  4350.65  4363.83
                             4452.78  4482.12  4541.33  4545.01  4564.47
                             4576.68  4595.21  5004.26  5115.21
 
 Zero-point correction=                           0.173578 (Hartree/Particle)
 Thermal correction to Energy=                    0.182170
 Thermal correction to Enthalpy=                  0.183114
 Thermal correction to Gibbs Free Energy=         0.139606
 Sum of electronic and zero-point Energies=           -366.227424
 Sum of electronic and thermal Energies=              -366.218832
 Sum of electronic and thermal Enthalpies=            -366.217887
 Sum of electronic and thermal Free Energies=         -366.261396
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  114.313             33.057             91.571
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.288
 Rotational               0.889              2.981             28.853
 Vibrational            112.536             27.096             22.430
 Vibration     1          0.593              1.985              6.211
 Vibration     2          0.611              1.925              2.973
 Vibration     3          0.643              1.822              2.024
 Vibration     4          0.662              1.764              1.736
 Vibration     5          0.671              1.737              1.628
 Vibration     6          0.703              1.644              1.333
 Vibration     7          0.718              1.600              1.222
 Vibration     8          0.777              1.442              0.916
 Vibration     9          0.845              1.275              0.687
 Vibration    10          0.906              1.137              0.542
 Vibration    11          0.956              1.035              0.453
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.610700D-64        -64.214172       -147.858596
 Total V=0       0.422685D+16         15.626017         35.980233
 Vib (Bot)       0.258493D-77        -77.587551       -178.651939
 Vib (Bot)    1  0.836664D+01          0.922551          2.124253
 Vib (Bot)    2  0.159113D+01          0.201706          0.464446
 Vib (Bot)    3  0.935028D+00         -0.029175         -0.067179
 Vib (Bot)    4  0.783396D+00         -0.106018         -0.244116
 Vib (Bot)    5  0.730761D+00         -0.136225         -0.313669
 Vib (Bot)    6  0.597432D+00         -0.223712         -0.515115
 Vib (Bot)    7  0.550255D+00         -0.259436         -0.597374
 Vib (Bot)    8  0.427545D+00         -0.369019         -0.849697
 Vib (Bot)    9  0.339588D+00         -0.469048         -1.080023
 Vib (Bot)   10  0.284486D+00         -0.545938         -1.257070
 Vib (Bot)   11  0.249975D+00         -0.602103         -1.386393
 Vib (V=0)       0.178911D+03          2.252638          5.186890
 Vib (V=0)    1  0.888157D+01          0.948490          2.183978
 Vib (V=0)    2  0.216784D+01          0.336028          0.773733
 Vib (V=0)    3  0.156032D+01          0.193213          0.444891
 Vib (V=0)    4  0.142936D+01          0.155142          0.357227
 Vib (V=0)    5  0.138544D+01          0.141589          0.326021
 Vib (V=0)    6  0.127905D+01          0.106889          0.246121
 Vib (V=0)    7  0.124349D+01          0.094643          0.217924
 Vib (V=0)    8  0.115787D+01          0.063660          0.146583
 Vib (V=0)    9  0.110442D+01          0.043133          0.099318
 Vib (V=0)   10  0.107527D+01          0.031516          0.072569
 Vib (V=0)   11  0.105901D+01          0.024898          0.057331
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.523735D+08          7.719112         17.773912
 Rotational      0.451094D+06          5.654267         13.019431
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  3       333333333                                               111 1111 1111 11111111111                                    
     5  4       111111000                                               666 5444 4433 32221110000999988 77 7  65 5 4  4 33 222  1    
     5  7       987551932                                               643 3999 1075 06108305421752175 76 1  39 5 8  1 31 641  2   2
     5  8       412965534                                               080 3621 0094 97454977141487722 94 2  98 1 9  3 85 592  8   5
 
     X  X       XXXXXXXXX                                               XXX XXXX XXXX XXX XXXXXXXXXXXXX XX X   X X X  X XX XXX  X   X
                XX   XXX                                                X                     X      X  XX X     X          X        
                 X   XXX                                                X                     X      X   X X                X        
                                                                                                     X     X                         
                                                                                                     X     X                         
                                                                                                     X     X                         
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
                                                                                                     X                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000002670    0.000007893    0.000001968
      2        6          -0.000004194   -0.000000349    0.000000855
      3        6          -0.000008447    0.000002333   -0.000002740
      4        6           0.000006527    0.000002939    0.000001733
      5        6          -0.000005445   -0.000001554    0.000000674
      6        6          -0.000003923   -0.000007472   -0.000002398
      7        6           0.000031443   -0.000013167    0.000026803
      8        7          -0.000017494    0.000008271   -0.000012223
      9        6           0.000002935   -0.000011877   -0.000012023
     10        1           0.000003000   -0.000000962   -0.000002368
     11        1          -0.000003885    0.000000095   -0.000008171
     12        1          -0.000003120    0.000002496    0.000000140
     13        1           0.000002069    0.000005182    0.000002873
     14        1          -0.000003742    0.000004462    0.000000181
     15        1           0.000000237   -0.000002108   -0.000000437
     16        1          -0.000000115   -0.000002175    0.000000825
     17        1          -0.000001199    0.000000798    0.000001933
     18        1          -0.000001813    0.000000163   -0.000000529
     19        1           0.000001794    0.000001782   -0.000000338
     20        1           0.000002700    0.000003251    0.000003243
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000031443 RMS     0.000007393
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.141051D+03 -0.362931D+00  0.120320D+01
      2  -0.362931D+00  0.110565D+03  0.253728D+01
      3   0.120320D+01  0.253728D+01  0.800036D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.636406D+00  0.262863D+01  0.191852D+01
      2   0.671311D+00  0.855222D+01 -0.184815D+02
      3  -0.556462D+01 -0.373067D+02 -0.863620D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.661927D+02  0.478553D+00 -0.507393D-01
      2  -0.960016D+01  0.317948D+00 -0.486492D+01
      3  -0.565926D+02 -0.796501D+00  0.491566D+01
      4   0.324425D+01  0.775591D+02  0.190646D+02
      5   0.920500D+01  0.190049D+02 -0.473286D+02
      6   0.773287D+01  0.691399D+01  0.327298D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.410212D+01 -0.791338D+00 -0.455752D+00 -0.662112D+01 -0.115689D+01
      2  -0.791338D+00  0.374429D+01  0.331677D+00 -0.115689D+01 -0.385836D+00
      3  -0.455752D+00  0.331677D+00  0.176488D+01 -0.531961D+00  0.677238D+00
                 6             7             8             9            10 
      1  -0.531961D+00 -0.151222D+01 -0.403283D+00  0.306070D+01  0.757380D+01
      2   0.677238D+00 -0.403283D+00  0.114400D+01 -0.375370D+01  0.278627D+01
      3  -0.247430D+01  0.306070D+01 -0.375370D+01 -0.107653D+01  0.107776D+01
                11            12            13            14            15 
      1   0.278627D+01  0.107776D+01 -0.891619D+01 -0.112958D+00 -0.277866D+00
      2  -0.300048D+01  0.129752D-01 -0.112958D+00 -0.149252D+01  0.670904D+00
      3   0.129752D-01 -0.121369D+01 -0.277866D+00  0.670904D+00 -0.273897D+01
                16            17            18            19            20 
      1  -0.121047D+01  0.700066D+00 -0.161064D+01 -0.211363D+02 -0.121622D+01
      2   0.700066D+00  0.690674D+00 -0.412567D+01 -0.121622D+01 -0.194539D+01
      3  -0.161064D+01 -0.412567D+01 -0.153765D+01 -0.862891D+00  0.147503D+00
                21            22            23            24            25 
      1  -0.862891D+00 -0.153763D+01  0.192151D+01  0.105592D+01 -0.705484D+00
      2   0.147503D+00  0.192151D+01 -0.611803D+00 -0.657758D-01  0.662795D+00
      3  -0.293335D+01  0.105592D+01 -0.657758D-01  0.425346D+00 -0.438407D+01
                26            27            28            29            30 
      1   0.662795D+00 -0.438407D+01  0.540891D+01 -0.698618D+00  0.712236D+00
      2  -0.408808D+00 -0.461321D+00 -0.698618D+00 -0.411226D+01 -0.396726D+00
      3  -0.461321D+00 -0.109928D-01  0.712236D+00 -0.396726D+00 -0.182676D+01
                31            32            33            34            35 
      1   0.973218D+01 -0.158411D+00  0.550071D+00  0.138845D+01  0.626452D-01
      2  -0.158411D+00  0.788789D+00 -0.554107D+00  0.626452D-01 -0.867542D+00
      3   0.550071D+00 -0.554107D+00  0.199550D+01 -0.178920D+01  0.324614D+01
                36            37            38            39            40 
      1  -0.178920D+01 -0.658047D+01 -0.940413D+00 -0.709927D+00  0.672479D+01
      2   0.324614D+01 -0.940413D+00  0.239559D+01  0.608836D-01  0.356827D-01
      3   0.832185D+00 -0.709927D+00  0.608836D-01  0.798695D+00  0.503736D-01
                41            42            43            44            45 
      1   0.356827D-01  0.503736D-01  0.470467D+00 -0.397797D+00  0.214524D+01
      2   0.107850D+01 -0.799552D+00 -0.397797D+00 -0.717991D+00  0.432850D+01
      3  -0.799552D+00  0.281417D+01  0.214524D+01  0.432850D+01  0.145960D+01
                46            47            48            49            50 
      1   0.789271D+01  0.363403D+00  0.211446D+00  0.411860D+00 -0.823414D+00
      2   0.363403D+00  0.344826D+01 -0.112357D-01 -0.823414D+00 -0.213704D+00
      3   0.211446D+00 -0.112357D-01  0.355332D+01 -0.104447D+01 -0.134129D+00
                51            52            53            54            55 
      1  -0.104447D+01 -0.173734D+00 -0.750410D+00  0.588363D+01  0.423453D+01
      2  -0.134129D+00 -0.750410D+00 -0.536588D-01  0.710828D+00 -0.562442D-01
      3   0.421342D+00  0.588363D+01  0.710828D+00  0.724133D+00 -0.110844D+01
                56            57            58            59            60 
      1  -0.562442D-01 -0.110844D+01 -0.593266D+01  0.129824D+01 -0.200033D+01
      2  -0.526303D+00 -0.978873D+00  0.129824D+01  0.689893D+01  0.238169D+01
      3  -0.978873D+00  0.365496D+01 -0.200033D+01  0.238169D+01 -0.173431D+01
                61            62            63            64            65 
      1   0.730797D+00 -0.112933D+01  0.734407D+01 -0.156921D+01  0.107628D+01
      2  -0.112933D+01  0.149241D+01 -0.284497D+00  0.107628D+01  0.525646D+00
      3   0.734407D+01 -0.284497D+00 -0.209438D+01 -0.454076D+00  0.100688D+01
                66            67            68            69            70 
      1  -0.454076D+00  0.480536D+01 -0.137696D+01  0.904740D+00 -0.297650D+01
      2   0.100688D+01 -0.137696D+01 -0.514767D+01 -0.146110D+01  0.644689D+00
      3  -0.447840D+01  0.904740D+00 -0.146110D+01  0.552430D+00 -0.573332D+01
                71            72            73            74            75 
      1   0.644689D+00 -0.573332D+01  0.917614D+01  0.222369D+01 -0.789896D+00
      2  -0.506137D+00  0.707864D-01  0.222369D+01 -0.103835D+01  0.764994D+00
      3   0.707864D-01  0.289062D+01 -0.789896D+00  0.764994D+00 -0.402215D+01
                76            77            78            79            80 
      1   0.377987D+01 -0.648893D+00  0.628933D+00  0.485702D+01  0.100358D+01
      2  -0.648893D+00 -0.381307D+01 -0.355863D+01  0.100358D+01 -0.264183D+01
      3   0.628933D+00 -0.355863D+01  0.230122D+01 -0.515328D+01  0.137571D+01
                81            82            83            84            85 
      1  -0.515328D+01 -0.403141D+00 -0.110806D+00 -0.734611D+00 -0.997546D+00
      2   0.137571D+01 -0.110806D+00  0.216107D+00 -0.193680D+00 -0.109212D+00
      3   0.110819D+01 -0.734611D+00 -0.193680D+00  0.316099D+01  0.111705D+00
                86            87            88            89            90 
      1  -0.109212D+00  0.111705D+00 -0.206537D+01  0.116437D+00  0.110224D+01
      2   0.541073D-01 -0.852509D+00  0.116437D+00 -0.120815D+01  0.729939D+00
      3  -0.852509D+00 -0.567548D+00  0.110224D+01  0.729939D+00 -0.862706D+01
                91            92            93            94            95 
      1  -0.718684D-02 -0.124705D+01 -0.209218D+00 -0.213640D+01 -0.163761D+01
      2  -0.124705D+01 -0.101870D+01 -0.174492D+00 -0.163761D+01 -0.745240D+01
      3  -0.209218D+00 -0.174492D+00 -0.681944D+00 -0.932167D-01 -0.127006D+01
                96            97            98            99           100 
      1  -0.932167D-01 -0.114716D+00 -0.166432D+00 -0.989062D+00  0.185600D+00
      2  -0.127006D+01 -0.166432D+00 -0.142805D+01 -0.113502D+01 -0.812963D+00
      3  -0.150029D+01 -0.989062D+00 -0.113502D+01 -0.841889D+00  0.861925D+00
               101           102           103           104           105 
      1  -0.812963D+00  0.861925D+00 -0.120944D+01  0.179189D+00 -0.125284D+00
      2   0.896408D+00 -0.865293D+00  0.179189D+00 -0.196803D+01  0.235274D+01
      3  -0.865293D+00  0.240287D+01 -0.125284D+00  0.235274D+01 -0.304366D+01
               106           107           108           109           110 
      1   0.483341D+00 -0.341415D+00  0.496600D+00 -0.142224D+02 -0.171204D+01
      2  -0.341415D+00  0.194512D+01 -0.218131D+01 -0.171204D+01 -0.112866D+01
      3   0.496600D+00 -0.218131D+01  0.525792D+01  0.238953D+01  0.252284D+00
               111           112           113           114           115 
      1   0.238953D+01 -0.260807D+01 -0.156511D+01  0.529877D+00 -0.705832D+00
      2   0.252284D+00 -0.156511D+01 -0.439349D+00  0.575184D+00 -0.627174D-01
      3  -0.164212D+01  0.529877D+00  0.575184D+00 -0.671948D+00 -0.652190D+00
               116           117           118           119           120 
      1  -0.627174D-01 -0.652190D+00 -0.434399D+00  0.579704D+00  0.169545D+00
      2   0.567169D-01 -0.318108D+00  0.579704D+00  0.201768D+00  0.298356D-02
      3  -0.318108D+00  0.755429D-01  0.169545D+00  0.298356D-02  0.720258D+00
               121           122           123           124           125 
      1   0.184809D+01 -0.565196D+00 -0.823969D+00  0.234619D+00 -0.229038D+00
      2  -0.565196D+00  0.548861D+01  0.223206D+01 -0.229038D+00  0.154486D+01
      3  -0.823969D+00  0.223206D+01  0.247593D+01  0.113728D+00  0.108637D+01
               126           127           128           129           130 
      1   0.113728D+00 -0.364972D+01  0.228207D+01  0.876411D-01  0.281753D+01
      2   0.108637D+01  0.228207D+01 -0.250568D+01 -0.187594D+00 -0.296554D+01
      3   0.169943D+01  0.876411D-01 -0.187594D+00 -0.257957D+00 -0.215326D+00
               131           132           133           134           135 
      1  -0.296554D+01 -0.215326D+00  0.246893D+00 -0.343399D+00  0.110135D+00
      2   0.587238D+01  0.477645D+00 -0.343399D+00  0.523873D+00  0.696978D-01
      3   0.477645D+00  0.647738D+00  0.110135D+00  0.696978D-01  0.102648D+00
               136           137           138           139           140 
      1   0.225855D+01  0.271878D+01  0.335414D+00  0.243402D+01  0.412197D+01
      2   0.271878D+01  0.292791D+01  0.377705D+00  0.412197D+01  0.997542D+01
      3   0.335414D+00  0.377705D+00  0.309417D+00  0.542304D+00  0.118174D+01
               141           142           143           144           145 
      1   0.542304D+00  0.609172D+00  0.536157D+00  0.120638D+00  0.134907D+02
      2   0.118174D+01  0.536157D+00  0.124648D+01  0.106923D+00  0.149132D+01
      3   0.870863D+00  0.120638D+00  0.106923D+00  0.110049D+00  0.529781D+00
               146           147           148           149           150 
      1   0.149132D+01  0.529781D+00  0.144479D+01  0.180319D+01  0.259440D+00
      2   0.867901D+00  0.624092D-01  0.180319D+01  0.534262D+00  0.928678D-01
      3   0.624092D-01  0.738156D+00  0.259440D+00  0.928678D-01  0.115625D+00
               151           152           153           154           155 
      1   0.511796D+00  0.251498D+00 -0.143965D+00  0.532252D+01 -0.416736D+01
      2   0.251498D+00  0.340682D-01  0.150342D-01 -0.416736D+01  0.370580D+01
      3  -0.143965D+00  0.150342D-01  0.213670D-01 -0.329585D+00  0.258941D+00
               156           157           158           159           160 
      1  -0.329585D+00 -0.412201D+01  0.480542D+01  0.447982D+00 -0.345173D+00
      2   0.258941D+00  0.480542D+01 -0.685629D+01 -0.618470D+00  0.463380D+00
      3   0.477986D+00  0.447982D+00 -0.618470D+00 -0.686198D+00  0.117960D+00
               161           162           163           164           165 
      1   0.463380D+00  0.117960D+00 -0.145417D+01 -0.174777D+01 -0.236031D+00
      2  -0.790115D+00  0.107575D-01 -0.174777D+01 -0.230872D+01 -0.306657D+00
      3   0.107575D-01 -0.357293D-01 -0.236031D+00 -0.306657D+00 -0.139176D+00
               166           167           168           169           170 
      1  -0.168569D+01 -0.193850D+01 -0.300666D+00  0.930294D-01 -0.369331D+00
      2  -0.193850D+01 -0.912442D+01 -0.103829D+01 -0.369331D+00 -0.119851D+01
      3  -0.300666D+00 -0.103829D+01 -0.851033D+00  0.155195D+00 -0.188190D+00
               171           172           173           174           175 
      1   0.155195D+00 -0.198430D+01 -0.206964D-01 -0.484843D+00  0.176826D+01
      2  -0.188190D+00 -0.206964D-01 -0.134515D+01 -0.164685D+00 -0.110650D+01
      3  -0.880845D-01 -0.484843D+00 -0.164685D+00 -0.385982D+00  0.331739D+00
               176           177           178           179           180 
      1  -0.110650D+01  0.331739D+00  0.183911D+00 -0.248094D+00 -0.194405D+00
      2   0.681409D+01 -0.289443D+00 -0.248094D+00  0.114260D+01  0.697128D+00
      3  -0.289443D+00  0.164811D+01 -0.194405D+00  0.697128D+00  0.306296D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.150017D+01 -0.621210D+00  0.322858D+01 -0.169557D+01 -0.463938D+00
      2   0.434713D+00  0.104192D+01  0.277184D+01  0.149040D-01  0.241936D+01
      3   0.760251D+01 -0.106638D+02 -0.272748D+00  0.101134D+02  0.264775D+01
                 6             7             8             9            10 
      1  -0.235153D+01  0.699705D+01  0.396869D+01  0.435411D+00  0.183860D+01
      2  -0.778597D+01 -0.381849D+01 -0.107230D+02 -0.259506D+01  0.467656D-01
      3  -0.785821D+00  0.624625D+00 -0.180995D+01  0.582974D+01 -0.112640D+02
                11            12            13            14            15 
      1   0.765297D+00 -0.260298D+01  0.491860D+00  0.559554D+00 -0.316864D+01
      2   0.730956D+00 -0.183958D+01  0.246641D+01 -0.469840D+00 -0.110707D+01
      3  -0.351430D+01 -0.179038D+01  0.380669D+01  0.676290D+01 -0.163082D+00
                16            17            18            19            20 
      1  -0.528653D+01  0.514334D+00 -0.679752D+00 -0.228386D+01 -0.253578D+00
      2  -0.119534D+02 -0.235056D+01 -0.114911D+01 -0.274687D+01  0.109421D+00
      3   0.403734D+00 -0.779938D-01  0.607285D+01  0.760990D+01  0.815619D+01
                21            22            23            24            25 
      1  -0.260480D+00 -0.158598D+01 -0.220300D+01  0.110943D+01 -0.851908D+00
      2  -0.208125D+01 -0.109209D+01  0.106717D+01 -0.108863D+01 -0.204160D+02
      3   0.114332D+01  0.224221D+02  0.138720D+01  0.734721D+00 -0.180351D+01
                26            27            28            29            30 
      1   0.107821D+02  0.199060D+01  0.550576D+00 -0.596608D+00  0.356711D+01
      2   0.447577D+00 -0.273540D+01  0.182365D+00  0.230616D+00 -0.143529D+01
      3  -0.452789D+00  0.630781D+00 -0.440627D+01  0.199335D+01  0.315337D+00
                31            32            33            34            35 
      1   0.868659D+00  0.254814D+00 -0.157915D+01  0.750412D+01  0.330432D+01
      2   0.168094D+01  0.190083D+00  0.103411D+01 -0.122624D+02  0.651934D+00
      3  -0.417479D+01 -0.735450D+01 -0.854187D+00 -0.114499D+01  0.104822D+01
                36            37            38            39            40 
      1   0.378696D+00 -0.830021D+00  0.110908D+01 -0.257786D+01  0.784516D+00
      2   0.435326D+00  0.263944D+00  0.117608D+01 -0.269226D+00  0.373959D+00
      3  -0.679752D+01  0.774933D+01 -0.157186D+02 -0.135993D+01  0.395228D+01
                41            42            43            44            45 
      1   0.185641D+00 -0.428789D+01 -0.577650D+01  0.533220D+00 -0.916770D+00
      2  -0.185884D+01  0.678388D+01 -0.852652D+01  0.100322D+02  0.269922D+01
      3  -0.484670D+00  0.148225D+01  0.843299D+00  0.150746D+01 -0.481805D+01
                46            47            48            49            50 
      1   0.740475D+00 -0.254410D+00 -0.114868D+01  0.208054D+00 -0.117154D+01
      2  -0.457050D+00 -0.329405D+00  0.945325D+01 -0.335691D+01 -0.452654D+00
      3  -0.517324D+01 -0.707191D+01  0.348925D-01  0.119401D+02 -0.419340D+01
                51            52            53            54            55 
      1   0.350110D+01 -0.221594D+01  0.118675D+02  0.190062D+01 -0.507129D+00
      2   0.194334D+01  0.967296D+01  0.253216D+01  0.152205D+01  0.667856D+01
      3  -0.373804D-01  0.178607D+01  0.348468D+00 -0.197944D+01 -0.615015D+01
                56            57            58            59            60 
      1  -0.424097D+00  0.270149D+00  0.175372D+01  0.190525D+01 -0.271328D+01
      2   0.154800D+01 -0.471192D+01 -0.386851D+00 -0.610727D+01  0.296270D+01
      3   0.128351D+01 -0.135758D+01  0.125030D+02  0.147709D+02  0.730650D+01
                61            62            63            64            65 
      1   0.188209D+01  0.194598D+01 -0.124446D+01 -0.221683D+00  0.290005D+01
      2  -0.179873D+02  0.567447D+00  0.354319D+01 -0.251200D+01 -0.193023D+01
      3   0.172624D+00  0.665034D+01 -0.528244D+01  0.753822D+01 -0.102188D+02
                66            67            68            69            70 
      1   0.172016D+01 -0.471893D+00  0.896244D+01 -0.213457D+01 -0.544413D+00
      2   0.201844D+02  0.109685D+01  0.266840D+01 -0.380083D+00  0.973465D+01
      3   0.373935D+01 -0.268062D+01 -0.183068D+02 -0.411568D+01  0.168477D+01
                71            72            73            74            75 
      1   0.524063D+01 -0.326946D+01  0.292792D+01 -0.251048D+01  0.620805D+00
      2   0.125866D+01 -0.146155D+02 -0.131358D+02 -0.501473D+01  0.150839D+02
      3  -0.537505D+01 -0.112083D+01  0.608603D+01 -0.745660D+01  0.129954D+01
                76            77            78            79            80 
      1  -0.286018D+00 -0.724331D+01 -0.854427D+01 -0.145762D+01 -0.376490D+01
      2  -0.315194D+01  0.114775D+02 -0.683608D+01  0.982782D+01 -0.467570D+01
      3  -0.100329D+01 -0.128408D+02 -0.114409D+02 -0.640605D+00 -0.107467D+02
                81            82            83            84            85 
      1   0.448228D+01 -0.234361D+00 -0.165520D+01 -0.166680D+01 -0.761638D+00
      2   0.392698D+01  0.484069D+01  0.492289D-01 -0.889511D+01 -0.204005D+01
      3   0.662720D+01 -0.105946D+01  0.856976D+00 -0.318978D+00  0.127264D+01
                86            87            88            89            90 
      1  -0.127309D+00  0.201131D-01 -0.836138D+00  0.295747D+01  0.231210D+01
      2   0.160380D+01  0.140692D+01 -0.956938D+01 -0.213352D+01  0.242400D+02
      3   0.615880D+00 -0.116053D+01 -0.243837D+00 -0.172860D+01  0.394347D+01
                91            92            93            94            95 
      1  -0.230771D+00 -0.107039D+00 -0.800778D+00 -0.396170D+00  0.298577D-01
      2   0.271634D+00  0.273666D+00  0.212528D+01  0.170159D+00  0.287108D+01
      3  -0.387565D+01 -0.285269D+01 -0.282163D+00  0.266059D+01 -0.142174D+02
                96            97            98            99           100 
      1  -0.341223D+01 -0.463955D+00  0.115896D+01 -0.951590D+00 -0.138707D+01
      2   0.309382D+01  0.157999D+00  0.155607D+01  0.168196D+01 -0.425018D+01
      3  -0.317263D+01  0.219999D+00 -0.314462D+01 -0.908126D+00 -0.288106D+01
               101           102           103           104           105 
      1   0.229657D+01 -0.154537D+00  0.108804D+01 -0.294657D+01  0.115237D+01
      2   0.337342D+01 -0.621517D+01  0.322910D+01 -0.654099D+01  0.784109D+01
      3   0.247837D+01 -0.236693D+01  0.289536D+01 -0.450675D+01  0.582343D+01
               106           107           108           109           110 
      1  -0.172864D+00  0.462817D+01 -0.179713D+01 -0.173109D+01 -0.238905D+01
      2  -0.544533D+01  0.628194D+01 -0.136122D+02  0.106289D+02  0.158528D+01
      3  -0.143509D+01  0.487319D+01 -0.598564D+01 -0.826488D+00 -0.629732D+01
               111           112           113           114           115 
      1  -0.796782D+00 -0.186729D+01 -0.260958D-01 -0.246826D+00 -0.754056D-02
      2   0.569391D+01  0.195133D+01 -0.531841D-01  0.183725D+01  0.812449D+00
      3   0.205760D+00 -0.259028D+01 -0.715917D+00  0.141998D+01  0.181851D+00
               116           117           118           119           120 
      1   0.856105D+00 -0.480808D+00  0.177418D+01  0.829138D+00 -0.383677D+00
      2   0.662885D+00  0.763012D+00 -0.111139D+01 -0.929276D+00 -0.146129D+01
      3   0.134941D+01 -0.627854D+00  0.306712D+01  0.110396D+01 -0.553919D-01
               121           122           123           124           125 
      1   0.294351D+00  0.106961D+02  0.985789D+00 -0.389922D+00  0.421747D+01
      2  -0.148945D+01 -0.618943D+01 -0.535878D+01 -0.158630D+01 -0.227506D+01
      3   0.227675D+01  0.164284D+02  0.602125D+01 -0.681274D+00  0.425343D+01
               126           127           128           129           130 
      1   0.164031D+01  0.448498D+00 -0.476874D+00  0.231737D+01  0.274058D-01
      2  -0.412736D+01  0.127859D+01 -0.233499D+00  0.100960D+01 -0.739197D+00
      3   0.284208D+01 -0.111973D+02  0.402791D+01 -0.853829D-01  0.757361D+01
               131           132           133           134           135 
      1   0.124654D+00 -0.307235D+01  0.329339D-01  0.214914D+01 -0.395598D-01
      2   0.549808D+00 -0.168693D+01 -0.196105D+01  0.159735D+00 -0.283698D+00
      3  -0.600459D+01 -0.766713D+00 -0.693174D+00 -0.926315D+00 -0.190355D+00
               136           137           138           139           140 
      1  -0.300151D-01  0.851964D-01 -0.155229D+01 -0.974144D-01  0.273240D+00
      2   0.480722D-02  0.262950D+00  0.145321D+01  0.297894D+00  0.160718D+01
      3  -0.784389D+00 -0.279145D+01 -0.263214D+00 -0.167412D+01 -0.144549D+02
               141           142           143           144           145 
      1  -0.441865D+01  0.677170D+00  0.190593D+01 -0.331804D+00 -0.576265D-01
      2   0.268143D+01 -0.799438D+00 -0.404507D+00  0.288070D+00  0.521762D+00
      3  -0.156874D+01 -0.161718D-01 -0.185272D+01 -0.200578D+00 -0.896930D+00
               146           147           148           149           150 
      1   0.185909D+00 -0.681888D+00  0.135541D-01  0.528283D-01 -0.503320D+00
      2   0.168458D-01  0.585437D+01  0.876083D+00  0.190339D+00  0.821091D+00
      3  -0.533556D+01  0.533741D-02 -0.411518D+01 -0.174330D+01 -0.253619D+00
               151           152           153           154           155 
      1   0.600113D+00  0.494653D+00 -0.908422D-02  0.529764D-01 -0.279619D+00
      2  -0.338077D+01 -0.290724D+00  0.110256D+00 -0.170679D+00  0.114620D+00
      3  -0.872901D+00 -0.404283D+00  0.143538D+00  0.153458D+01 -0.501340D+01
               156           157           158           159           160 
      1   0.222560D+01  0.142714D+00  0.981220D-01 -0.333099D+01 -0.790171D+00
      2   0.284715D+01  0.595965D+00 -0.974244D+00 -0.308288D+01 -0.989434D+00
      3  -0.153164D+00 -0.366757D+01  0.113467D+02  0.926505D+00 -0.793084D+00
               161           162           163           164           165 
      1   0.159259D+01 -0.990859D-01  0.177640D+00  0.567083D-01 -0.134381D+01
      2   0.687365D+00 -0.208380D+00 -0.859538D+00 -0.648077D+00  0.400611D+00
      3   0.119914D+01 -0.290965D+00  0.621914D+01  0.391637D+01  0.571797D+00
               166           167           168           169           170 
      1  -0.948937D-01  0.419286D+00 -0.423683D+01  0.574385D+00  0.211409D+01
      2  -0.608529D+00 -0.137504D+01  0.714997D+00 -0.178739D+01 -0.160355D+00
      3   0.736473D+01  0.920292D+01  0.134526D+01  0.137868D+01  0.114474D+01
               171           172           173           174           175 
      1  -0.323543D+00  0.502923D+00  0.134022D+01  0.207831D-01  0.983196D+00
      2   0.753771D-01  0.691580D+00 -0.158935D+00  0.326809D-01  0.111417D+00
      3  -0.646044D-01  0.129014D+01 -0.216331D+01 -0.278433D+00  0.164543D+01
               176           177           178           179           180 
      1  -0.106489D+02 -0.276962D+01  0.343622D+00 -0.118522D+01 -0.172800D+01
      2  -0.623231D+00 -0.379419D+01 -0.243574D+00 -0.164151D+01 -0.558821D+00
      3   0.214774D+02 -0.140621D+00  0.102898D+01  0.414460D+01  0.217673D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.366753D+01  0.254143D+02  0.280665D+01 -0.323830D+02  0.382833D+01
      2  -0.125014D+01 -0.158449D+02  0.533984D+00  0.320086D+02 -0.911262D+01
      3   0.491767D+01 -0.956936D+01 -0.334064D+01  0.374465D+00  0.528429D+01
      4   0.128479D+02  0.182877D+01  0.416647D+00 -0.250814D+01  0.112007D+02
      5   0.136460D+01  0.706387D+00  0.518035D+01 -0.333100D+01  0.546173D+01
      6  -0.729381D+00 -0.830386D+00 -0.915284D+01  0.409340D+01 -0.411311D+01
                 6             7             8             9            10 
      1   0.428845D+00 -0.462130D+01  0.200626D+01  0.114585D+01  0.160393D+02
      2  -0.685417D+00  0.586645D+01 -0.457916D+01 -0.824119D+01 -0.946520D+01
      3   0.256571D+00 -0.124516D+01  0.257290D+01  0.709534D+01 -0.657415D+01
      4   0.519771D+01 -0.241927D+01  0.495871D+01 -0.172585D+02  0.470294D-01
      5  -0.171849D+02  0.216208D+02 -0.168584D+02 -0.560006D+01 -0.131738D+01
      6   0.509784D+01 -0.800685D+01  0.137863D+02 -0.113270D+00  0.460515D+00
                11            12            13            14            15 
      1  -0.956399D+01 -0.190533D+00  0.322997D+01  0.942581D+01  0.235619D+01
      2   0.654354D+01 -0.769892D+00 -0.132416D+02 -0.168690D+02 -0.522136D+01
      3   0.302045D+01  0.960424D+00  0.100117D+02  0.744322D+01  0.286518D+01
      4  -0.185874D+02 -0.136677D+01  0.919099D+01 -0.161336D+02 -0.142630D+01
      5  -0.157332D+01 -0.556015D+01  0.193082D+01 -0.148572D+01  0.869679D+00
      6  -0.892788D+00  0.670459D+01 -0.350757D+01 -0.623119D+01  0.721841D+01
                16            17            18            19            20 
      1   0.130454D+01  0.178456D+01 -0.155072D+02 -0.185159D+02 -0.638879D+01
      2  -0.345853D+01 -0.622711D+01  0.252748D+01  0.256777D+01  0.462396D+01
      3   0.215399D+01  0.444255D+01  0.129797D+02  0.159482D+02  0.176483D+01
      4  -0.152826D+01 -0.174628D+01 -0.732242D+01 -0.514391D+01  0.264177D+01
      5   0.792192D+01 -0.578615D+01 -0.143277D+01  0.124742D+01 -0.120026D+01
      6   0.129740D+01  0.164375D+02  0.300546D+01 -0.316812D+01  0.333215D-01
                21            22            23            24            25 
      1  -0.777060D+00 -0.390422D+01 -0.993312D+01 -0.801112D+00 -0.712046D+00
      2  -0.151451D+01 -0.917879D+00  0.191110D+02  0.435188D+01 -0.227873D+01
      3   0.229157D+01  0.482210D+01 -0.917786D+01 -0.355077D+01  0.299078D+01
      4  -0.102684D+01 -0.100633D+02  0.411112D+00  0.602221D+00 -0.334838D+01
      5   0.497549D+01 -0.553004D+01  0.173561D+00 -0.252999D+01  0.100941D+02
      6   0.224045D+01 -0.177777D+01  0.297086D+01 -0.405007D+01  0.263420D+01
                26            27            28            29            30 
      1  -0.195662D+01 -0.484199D+01 -0.132271D+01  0.173884D+02  0.184698D+01
      2   0.304504D+01 -0.660695D+01  0.100527D+01 -0.117095D+02  0.171726D+01
      3  -0.108841D+01  0.114489D+02  0.317445D+00 -0.567891D+01 -0.356424D+01
      4   0.192505D+01  0.237430D+00  0.121081D+02 -0.142255D+02 -0.624670D+00
      5  -0.162441D+00 -0.133847D+01 -0.217321D+01 -0.102209D+01 -0.362564D+01
      6   0.555996D+01 -0.149487D+01  0.116942D+01 -0.248946D+00 -0.857281D+01
                31            32            33            34            35 
      1  -0.650196D+01  0.426158D+01  0.235713D+01 -0.250173D+01  0.229452D+01
      2   0.173357D+02 -0.887500D+01 -0.134960D+01  0.544910D+01 -0.355546D+01
      3  -0.108338D+02  0.461342D+01 -0.100753D+01 -0.294737D+01  0.126094D+01
      4   0.484459D+01  0.144966D+02  0.218686D+01  0.207875D+01  0.566607D+00
      5   0.480801D-03  0.220313D+01 -0.260065D+01  0.895092D+00  0.157158D+01
      6   0.536352D+01 -0.266695D+01  0.489338D+01 -0.662362D+01  0.108417D+02
                36            37            38            39            40 
      1  -0.142982D+02  0.108512D+02 -0.216749D+02 -0.158139D+01  0.230748D+02
      2   0.241528D+01 -0.120008D+02  0.132695D+02 -0.477718D+00 -0.214618D+02
      3   0.118829D+02  0.114959D+01  0.840541D+01  0.205910D+01 -0.161302D+01
      4   0.317937D+01 -0.180345D+02 -0.506239D+01 -0.154595D+01  0.127347D+02
      5  -0.725990D+00  0.693844D+00 -0.114583D+01 -0.216844D+01 -0.179339D+01
      6   0.119287D+00 -0.252024D+01 -0.633648D+00  0.549682D+01 -0.308449D+01
                41            42            43            44            45 
      1   0.121108D+02  0.168021D+01  0.237091D+01  0.540835D+00 -0.716694D+01
      2  -0.193220D+02 -0.438188D+01 -0.418436D+01 -0.536271D+01 -0.241654D+01
      3   0.721117D+01  0.270168D+01  0.181345D+01  0.482187D+01  0.958348D+01
      4  -0.588080D+01 -0.431077D+01 -0.219284D+01 -0.562333D+01  0.162437D+02
      5  -0.381818D+01  0.139323D+02  0.136075D+02  0.162435D+02  0.527930D+01
      6  -0.692652D+01  0.927481D+01  0.704965D+01  0.174725D+02  0.231287D+01
                46            47            48            49            50 
      1  -0.131548D+02 -0.576505D+01 -0.279486D+01  0.116325D+02 -0.223115D+02
      2   0.877535D+01  0.417770D+01  0.101336D+01 -0.115948D+02  0.207145D+02
      3   0.437948D+01  0.158735D+01  0.178150D+01 -0.376930D-01  0.159709D+01
      4  -0.146135D+01  0.245850D+02  0.297563D+00 -0.222036D+02 -0.138333D+01
      5  -0.422382D+01 -0.212564D+00  0.218547D+02 -0.592437D+01 -0.183610D+01
      6   0.855166D+00  0.848359D-01  0.309530D+01 -0.153746D+01  0.296794D+01
                51            52            53            54            55 
      1  -0.405463D+01 -0.133827D+01 -0.443978D+01  0.159317D+02  0.141926D+02
      2   0.555245D+01 -0.101267D+01  0.327182D+01 -0.191903D+02 -0.418070D+01
      3  -0.149782D+01  0.235094D+01  0.116796D+01  0.325863D+01 -0.100119D+02
      4  -0.158023D+01 -0.727557D+01 -0.828794D+00  0.433921D+01  0.522739D+01
      5   0.468138D+01  0.404072D+02  0.418299D+01  0.363800D+01  0.492996D+01
      6  -0.637755D+01  0.266619D+01  0.594174D+01 -0.251762D+01 -0.461473D+00
                56            57            58            59            60 
      1  -0.120485D+01  0.414676D+00  0.208244D+02  0.718192D+01  0.671207D+01
      2   0.213164D+00 -0.383395D+01 -0.201966D+02 -0.160497D+02 -0.975656D+01
      3   0.991689D+00  0.341928D+01 -0.627765D+00  0.886774D+01  0.304449D+01
      4  -0.853938D+01  0.261986D+01 -0.699721D+01 -0.283181D+02 -0.122154D+02
      5   0.196598D+01 -0.196272D+02  0.164219D+02 -0.102108D+02  0.118091D+02
      6  -0.144656D+01  0.223264D+01 -0.470664D+01 -0.490854D+01  0.133637D+01
                61            62            63            64            65 
      1  -0.731352D+01  0.343414D+01 -0.141925D+02  0.184884D+02  0.494037D+00
      2  -0.134307D+01 -0.352593D+01  0.159128D+02 -0.852971D+01 -0.220979D+01
      3   0.865660D+01  0.917904D-01 -0.172025D+01 -0.995873D+01  0.171575D+01
      4   0.914289D+01 -0.112065D+02  0.331332D+01 -0.730482D+01  0.122819D+02
      5  -0.497088D+02  0.210710D+01  0.663739D+01  0.505032D+01 -0.503634D+01
      6   0.119969D+01 -0.468542D+01  0.140203D+01 -0.425811D+01  0.452127D+01
                66            67            68            69            70 
      1  -0.912853D+01 -0.125945D+02  0.997810D+01 -0.369000D+01 -0.508817D+00
      2  -0.577064D+01  0.107976D+02 -0.140751D+02  0.102862D+01 -0.107082D+02
      3   0.148992D+02  0.179684D+01  0.409701D+01  0.266138D+01  0.112170D+02
      4  -0.393483D+01  0.167595D+02  0.241579D+02  0.972318D+01 -0.473389D+01
      5   0.273270D+02 -0.975674D+01  0.113236D+02 -0.514978D+01  0.392730D+02
      6  -0.400075D+01  0.777472D+01  0.784247D+01  0.590277D+01 -0.389857D+01
                71            72            73            74            75 
      1   0.131436D+01  0.288217D+02 -0.553096D+02 -0.140821D+02  0.156701D+02
      2  -0.323192D+01 -0.108410D+02  0.259239D+02  0.493580D+01 -0.511873D+00
      3   0.191756D+01 -0.179807D+02  0.293857D+02  0.914633D+01 -0.151583D+02
      4   0.899390D+01 -0.430226D+01 -0.190443D+02  0.606668D+01 -0.137214D+01
      5  -0.990002D+00  0.688831D+01  0.203152D+02  0.185161D+01  0.162884D+02
      6   0.667157D+01 -0.141623D+01  0.750529D+01 -0.535316D+01  0.276120D+01
                76            77            78            79            80 
      1  -0.167072D+02  0.127926D+02 -0.564305D+01  0.114374D+00 -0.866003D+01
      2   0.107834D+02 -0.204165D+01 -0.119693D+01  0.122242D+02  0.130224D+00
      3   0.592381D+01 -0.107509D+02  0.683999D+01 -0.123386D+02  0.852980D+01
      4   0.262768D+01  0.211104D+02  0.159649D+02 -0.406895D+01  0.138698D+02
      5   0.237913D+01  0.120842D+02 -0.626551D+01  0.286103D+02 -0.333325D+01
      6  -0.100881D+01 -0.101291D+02 -0.126672D+02  0.260254D+01 -0.947178D+01
                81            82            83            84            85 
      1   0.194499D+02  0.410198D+01 -0.942789D-01  0.130196D+02  0.438322D+01
      2  -0.152596D+02 -0.382435D+01  0.480913D+00  0.367240D+01 -0.220259D+01
      3  -0.419025D+01 -0.277631D+00 -0.386635D+00 -0.166920D+02 -0.218063D+01
      4  -0.517972D+01  0.340014D+00 -0.155394D+01 -0.551707D+00  0.140788D+01
      5  -0.151472D+02  0.249922D+01  0.907224D+00 -0.687419D+01  0.224700D+00
      6   0.854896D+01  0.625930D+00 -0.143427D+01  0.104922D+01 -0.852873D-01
                86            87            88            89            90 
      1  -0.378820D+01 -0.901933D+00  0.127862D+02  0.230596D+01 -0.308795D+02
      2   0.747721D+00 -0.168249D+00 -0.214146D+01 -0.610672D+00 -0.105938D+02
      3   0.304048D+01  0.107018D+01 -0.106447D+02 -0.169529D+01  0.414732D+02
      4  -0.932170D+00  0.276006D+01 -0.256346D+01  0.314828D+01 -0.571137D+00
      5   0.204395D+01  0.936805D+00  0.186327D+01 -0.259604D+01  0.245042D+02
      6  -0.543565D+00  0.635436D+01  0.766872D+00  0.507624D+01 -0.568304D+01
                91            92            93            94            95 
      1   0.152003D+01  0.341601D+01  0.123575D+01 -0.102042D+00 -0.145103D+02
      2   0.296464D+01  0.122300D-01  0.179891D+00  0.453434D+01  0.278536D+02
      3  -0.448467D+01 -0.342824D+01 -0.141564D+01 -0.443230D+01 -0.133434D+02
      4   0.752994D+01  0.109497D+02  0.181559D+01  0.109975D+02  0.320894D+02
      5   0.153960D+01  0.180211D+01  0.527347D+01  0.670195D+00  0.477605D+01
      6   0.218976D+01  0.867068D+00  0.192757D+00  0.109036D+01  0.800565D+01
                96            97            98            99           100 
      1  -0.252330D+01  0.103278D+01 -0.256627D+01 -0.347422D+01 -0.206058D+01
      2   0.404337D+01  0.601674D+00  0.252342D+01  0.213789D+01 -0.673098D+00
      3  -0.152007D+01 -0.163445D+01  0.428486D-01  0.133633D+01  0.273368D+01
      4   0.558770D+01  0.165447D+01  0.593925D+01  0.465934D+01  0.219535D+01
      5   0.658620D+01  0.629080D+01  0.430683D+01  0.287079D+01 -0.398167D+00
      6   0.552330D+01  0.142062D+01  0.873762D+01  0.356754D+01 -0.358371D+01
               101           102           103           104           105 
      1   0.681469D+01 -0.110373D+02  0.681369D+01 -0.116646D+02  0.118367D+02
      2  -0.229098D+01 -0.258035D+00 -0.350940D+01  0.489367D+01  0.766450D-01
      3  -0.452371D+01  0.112953D+02 -0.330429D+01  0.677091D+01 -0.119134D+02
      4  -0.224006D+01  0.178601D+01  0.181521D+01  0.691358D+01 -0.934739D+01
      5  -0.923860D-01 -0.349518D+01 -0.369687D+01 -0.694774D+01  0.985109D+01
      6   0.483808D+01 -0.503242D+01  0.933440D+00 -0.105691D+02  0.134568D+02
               106           107           108           109           110 
      1  -0.577179D+01  0.103467D+02 -0.222094D+02  0.842195D+02  0.966687D+01
      2   0.514139D+00  0.595472D+00 -0.625788D+01 -0.450591D+02 -0.375977D+01
      3   0.525765D+01 -0.109421D+02  0.284673D+02 -0.391603D+02 -0.590710D+01
      4   0.320263D+00 -0.823432D+01  0.835167D+01  0.169825D+02  0.124690D+02
      5   0.439786D+01  0.671344D+01 -0.156247D+02 -0.352228D+02 -0.439725D+01
      6  -0.168831D+01  0.115534D+02 -0.143027D+02 -0.564912D+01 -0.404802D+01
               111           112           113           114           115 
      1  -0.925226D+01  0.120815D+02  0.673866D+01 -0.154099D+00  0.333329D+01
      2   0.900272D+01 -0.491112D+01 -0.243749D+01  0.142988D+01  0.828249D+00
      3   0.249535D+00 -0.717033D+01 -0.430117D+01 -0.127578D+01 -0.416154D+01
      4  -0.262071D+01  0.148033D+02  0.464079D+01 -0.346286D+01  0.597413D+00
      5   0.163931D+02 -0.653023D+01 -0.465792D+01  0.395703D+01  0.828558D+01
      6   0.169045D+01 -0.369283D+01 -0.916678D+00  0.312140D+01  0.906536D+00
               116           117           118           119           120 
      1   0.109074D+01  0.382380D+01  0.460042D+01 -0.250511D+01 -0.435965D+01
      2   0.493749D+00 -0.329950D+01 -0.143363D+01  0.167061D+01  0.369751D+00
      3  -0.158448D+01 -0.524299D+00 -0.316679D+01  0.834503D+00  0.398990D+01
      4  -0.858051D+00  0.235044D+01 -0.175366D+01  0.128169D+01  0.704727D+00
      5   0.187038D+01 -0.243199D+01 -0.242987D+01  0.179704D+01 -0.906463D+00
      6   0.195516D+01 -0.987666D+00  0.179814D+01  0.920202D+00  0.204252D+00
               121           122           123           124           125 
      1  -0.554557D+01 -0.901867D+01 -0.428482D+01 -0.177907D+01 -0.342868D+01
      2   0.337853D+01  0.789551D+01 -0.167303D+01  0.103160D+01 -0.716148D+00
      3   0.216704D+01  0.112316D+01  0.595785D+01  0.747467D+00  0.414483D+01
      4   0.628906D+01 -0.278765D+02 -0.111634D+02  0.119962D+01 -0.759946D+01
      5   0.775718D+01 -0.949683D+01 -0.118748D+02  0.197236D+01 -0.480900D+01
      6  -0.191957D+01  0.192677D+02  0.112804D+02 -0.977898D+00  0.987663D+01
               126           127           128           129           130 
      1  -0.694760D+01 -0.428650D+01  0.690753D+01  0.700231D+00  0.801915D+01
      2  -0.507812D+00  0.588514D+01 -0.102609D+02 -0.828395D+00 -0.112783D+02
      3   0.745541D+01 -0.159864D+01  0.335338D+01  0.128164D+00  0.325918D+01
      4  -0.514575D+01 -0.861059D+01  0.870538D+01  0.602326D+00  0.858708D+01
      5  -0.631204D+01 -0.193607D+00  0.614737D+00  0.233597D+01  0.199853D+00
      6   0.541681D+01  0.463918D+00 -0.797038D+00 -0.165624D+01 -0.125888D+01
               131           132           133           134           135 
      1  -0.214516D+02 -0.223612D+01  0.897567D+00 -0.157756D+01 -0.310286D+00
      2   0.292572D+02  0.191597D+01 -0.133660D+01  0.202449D+01  0.103692D+01
      3  -0.780559D+01  0.320157D+00  0.439031D+00 -0.446933D+00 -0.726633D+00
      4  -0.932753D+01 -0.581352D+00  0.106342D+01 -0.480492D+00 -0.175950D+01
      5  -0.831839D+00 -0.173575D+01  0.571623D+00 -0.280007D+00 -0.515262D+00
      6   0.271353D+01  0.470162D+01  0.483706D-01  0.149744D+01  0.812681D+00
               136           137           138           139           140 
      1   0.530821D+01  0.460159D+01  0.503393D+00 -0.178759D+01 -0.175421D+02
      2   0.417571D+01  0.610702D+01  0.334219D+00  0.137111D+02  0.424132D+02
      3  -0.948392D+01 -0.107086D+02 -0.837613D+00 -0.119235D+02 -0.248712D+02
      4   0.191756D+02  0.245525D+02  0.281128D+01  0.259198D+02  0.499623D+02
      5   0.238074D+01  0.270929D+01  0.386013D+01  0.303114D+01  0.536792D+01
      6   0.183908D+01  0.222967D+01  0.207236D+01  0.328951D+01  0.770517D+01
               141           142           143           144           145 
      1  -0.216105D+01 -0.213151D+00 -0.180425D+01 -0.121904D+01  0.102230D+03
      2   0.361939D+01  0.159262D+01  0.447499D+01  0.231226D+01 -0.572565D+02
      3  -0.145834D+01 -0.137947D+01 -0.267074D+01 -0.109322D+01 -0.449731D+02
      4   0.574678D+01  0.328013D+01  0.637898D+01  0.186956D+01  0.162964D+02
      5   0.435226D+01  0.796278D+00  0.134458D+01  0.853052D+00  0.516862D+01
      6   0.732401D+01  0.145046D+01  0.260091D+01  0.154514D+01 -0.971811D+00
               146           147           148           149           150 
      1   0.102985D+02  0.344058D+01  0.908812D+01  0.103192D+02  0.110402D+01
      2  -0.507308D+01 -0.227884D+01 -0.380931D+01 -0.468865D+01 -0.921047D+00
      3  -0.522545D+01 -0.116174D+01 -0.527881D+01 -0.563054D+01 -0.182973D+00
      4   0.987082D+01  0.531947D+00  0.174084D+02  0.525338D+01  0.900891D+00
      5   0.522963D+00  0.907980D+01  0.227872D+01  0.840973D+00  0.115986D+01
      6   0.138014D+00  0.745274D+00  0.501321D+00 -0.214559D-01  0.182768D+01
               151           152           153           154           155 
      1   0.423174D+01  0.117815D+01  0.238506D+01  0.232195D+02 -0.147392D+02
      2  -0.234682D+01 -0.596520D+00 -0.125399D+01 -0.366923D+01 -0.108416D+01
      3  -0.188492D+01 -0.581635D+00 -0.113107D+01 -0.195503D+02  0.158234D+02
      4   0.255709D+01  0.945441D+00  0.417465D+00 -0.355197D+02  0.320875D+02
      5   0.904253D+00  0.154850D+00  0.519531D+00 -0.366587D+01  0.263204D+01
      6   0.362747D-01  0.511207D+00  0.281540D+00  0.142923D+01 -0.116755D+01
               156           157           158           159           160 
      1  -0.143586D+01 -0.935365D+01  0.386115D+01  0.378388D+00 -0.387265D+00
      2   0.445697D+00 -0.777625D+01  0.178899D+02  0.507540D+00 -0.962413D+00
      3   0.990161D+00  0.171299D+02 -0.217510D+02 -0.885928D+00  0.134968D+01
      4   0.230346D+01  0.361914D+02 -0.463108D+02 -0.404877D+01  0.363096D+01
      5   0.556863D+01  0.387822D+01 -0.442383D+01 -0.450153D+01  0.146065D+01
      6  -0.276791D+01 -0.243982D+01  0.325275D+01  0.534559D+01 -0.118113D+01
               161           162           163           164           165 
      1   0.907433D-02  0.464551D-01 -0.533220D+01 -0.919575D+01 -0.130418D+01
      2   0.175311D+01  0.103283D+01  0.701535D+01  0.115983D+02  0.107021D+01
      3  -0.176218D+01 -0.107929D+01 -0.168315D+01 -0.240253D+01  0.233968D+00
      4  -0.418269D+01 -0.162292D+01  0.361985D+01  0.775831D+01  0.732888D+00
      5  -0.153173D+01 -0.599779D+00  0.469247D+00  0.511888D+00  0.160480D+01
      6   0.168720D+01  0.900491D+00  0.125150D+01  0.207634D+01  0.169446D+01
               166           167           168           169           170 
      1  -0.721198D+01 -0.357532D+02 -0.424586D+01 -0.140225D+01 -0.472393D+01
      2   0.893977D+01  0.488703D+02  0.432021D+01  0.187712D+01  0.605664D+01
      3  -0.172779D+01 -0.131171D+02 -0.743566D-01 -0.474862D+00 -0.133270D+01
      4   0.510817D+01 -0.952240D+00 -0.427015D+00  0.797565D+00  0.145736D+00
      5   0.828010D+00 -0.755486D+00  0.309096D+00 -0.165848D+00  0.557998D+00
      6   0.141442D+01  0.753714D+01  0.683105D+01  0.303314D+00  0.234242D+01
               171           172           173           174           175 
      1  -0.154617D+01  0.694696D+01 -0.271768D+00  0.382785D+01 -0.281359D+01
      2   0.247836D+01 -0.500460D+01 -0.115767D+01 -0.289777D+01 -0.107326D+01
      3  -0.932190D+00 -0.194236D+01  0.142943D+01 -0.930085D+00  0.388685D+01
      4   0.118454D+01  0.139927D+00  0.569494D+01  0.958586D+00  0.813794D+01
      5   0.172649D+00  0.516911D+01  0.119604D+01  0.251911D+01 -0.303769D+01
      6   0.151827D+01  0.175401D+01  0.114358D+01  0.100319D+01  0.176163D+01
               176           177           178           179           180 
      1  -0.823492D+01  0.215088D+01 -0.324286D+00  0.116033D+01 -0.234711D+01
      2   0.212448D+02  0.189116D+01 -0.101442D+01  0.234516D+01  0.127912D+01
      3  -0.130099D+02 -0.404204D+01  0.133871D+01 -0.350549D+01  0.106798D+01
      4  -0.334841D+02  0.109644D+01  0.180804D+01 -0.611184D+01 -0.298383D+01
      5   0.189352D+00 -0.660188D+01  0.195293D+01 -0.306913D+01 -0.431689D+00
      6  -0.126998D+02  0.360863D+01 -0.368689D+00  0.217280D+01 -0.378422D+00
 Leave Link  716 at Thu Aug 12 20:03:25 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.141051D+03 -0.362931D+00  0.120320D+01
      2  -0.362931D+00  0.110565D+03  0.253728D+01
      3   0.120320D+01  0.253728D+01  0.800036D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.636406D+00  0.262863D+01  0.191852D+01
      2   0.671311D+00  0.855222D+01 -0.184815D+02
      3  -0.556462D+01 -0.373067D+02 -0.863620D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.661927D+02  0.478553D+00 -0.507393D-01
      2  -0.960016D+01  0.317948D+00 -0.486492D+01
      3  -0.565926D+02 -0.796501D+00  0.491566D+01
      4   0.324425D+01  0.775591D+02  0.190646D+02
      5   0.920500D+01  0.190049D+02 -0.473286D+02
      6   0.773287D+01  0.691399D+01  0.327298D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.410212D+01 -0.791338D+00 -0.455752D+00 -0.662112D+01 -0.115689D+01
      2  -0.791338D+00  0.374429D+01  0.331677D+00 -0.115689D+01 -0.385836D+00
      3  -0.455752D+00  0.331677D+00  0.176488D+01 -0.531961D+00  0.677238D+00
                 6             7             8             9            10 
      1  -0.531961D+00 -0.151222D+01 -0.403283D+00  0.306070D+01  0.757380D+01
      2   0.677238D+00 -0.403283D+00  0.114400D+01 -0.375370D+01  0.278627D+01
      3  -0.247430D+01  0.306070D+01 -0.375370D+01 -0.107653D+01  0.107776D+01
                11            12            13            14            15 
      1   0.278627D+01  0.107776D+01 -0.891619D+01 -0.112958D+00 -0.277866D+00
      2  -0.300048D+01  0.129752D-01 -0.112958D+00 -0.149252D+01  0.670904D+00
      3   0.129752D-01 -0.121369D+01 -0.277866D+00  0.670904D+00 -0.273897D+01
                16            17            18            19            20 
      1  -0.121047D+01  0.700066D+00 -0.161064D+01 -0.211363D+02 -0.121622D+01
      2   0.700066D+00  0.690674D+00 -0.412567D+01 -0.121622D+01 -0.194539D+01
      3  -0.161064D+01 -0.412567D+01 -0.153765D+01 -0.862891D+00  0.147503D+00
                21            22            23            24            25 
      1  -0.862891D+00 -0.153763D+01  0.192151D+01  0.105592D+01 -0.705484D+00
      2   0.147503D+00  0.192151D+01 -0.611803D+00 -0.657758D-01  0.662795D+00
      3  -0.293335D+01  0.105592D+01 -0.657758D-01  0.425346D+00 -0.438407D+01
                26            27            28            29            30 
      1   0.662795D+00 -0.438407D+01  0.540891D+01 -0.698618D+00  0.712236D+00
      2  -0.408808D+00 -0.461321D+00 -0.698618D+00 -0.411226D+01 -0.396726D+00
      3  -0.461321D+00 -0.109928D-01  0.712236D+00 -0.396726D+00 -0.182676D+01
                31            32            33            34            35 
      1   0.973218D+01 -0.158411D+00  0.550071D+00  0.138845D+01  0.626452D-01
      2  -0.158411D+00  0.788789D+00 -0.554107D+00  0.626452D-01 -0.867542D+00
      3   0.550071D+00 -0.554107D+00  0.199550D+01 -0.178920D+01  0.324614D+01
                36            37            38            39            40 
      1  -0.178920D+01 -0.658047D+01 -0.940413D+00 -0.709927D+00  0.672479D+01
      2   0.324614D+01 -0.940413D+00  0.239559D+01  0.608836D-01  0.356827D-01
      3   0.832185D+00 -0.709927D+00  0.608836D-01  0.798695D+00  0.503736D-01
                41            42            43            44            45 
      1   0.356827D-01  0.503736D-01  0.470467D+00 -0.397797D+00  0.214524D+01
      2   0.107850D+01 -0.799552D+00 -0.397797D+00 -0.717991D+00  0.432850D+01
      3  -0.799552D+00  0.281417D+01  0.214524D+01  0.432850D+01  0.145960D+01
                46            47            48            49            50 
      1   0.789271D+01  0.363403D+00  0.211446D+00  0.411860D+00 -0.823414D+00
      2   0.363403D+00  0.344826D+01 -0.112357D-01 -0.823414D+00 -0.213704D+00
      3   0.211446D+00 -0.112357D-01  0.355332D+01 -0.104447D+01 -0.134129D+00
                51            52            53            54            55 
      1  -0.104447D+01 -0.173734D+00 -0.750410D+00  0.588363D+01  0.423453D+01
      2  -0.134129D+00 -0.750410D+00 -0.536588D-01  0.710828D+00 -0.562442D-01
      3   0.421342D+00  0.588363D+01  0.710828D+00  0.724133D+00 -0.110844D+01
                56            57            58            59            60 
      1  -0.562442D-01 -0.110844D+01 -0.593266D+01  0.129824D+01 -0.200033D+01
      2  -0.526303D+00 -0.978873D+00  0.129824D+01  0.689893D+01  0.238169D+01
      3  -0.978873D+00  0.365496D+01 -0.200033D+01  0.238169D+01 -0.173431D+01
                61            62            63            64            65 
      1   0.730797D+00 -0.112933D+01  0.734407D+01 -0.156921D+01  0.107628D+01
      2  -0.112933D+01  0.149241D+01 -0.284497D+00  0.107628D+01  0.525646D+00
      3   0.734407D+01 -0.284497D+00 -0.209438D+01 -0.454076D+00  0.100688D+01
                66            67            68            69            70 
      1  -0.454076D+00  0.480536D+01 -0.137696D+01  0.904740D+00 -0.297650D+01
      2   0.100688D+01 -0.137696D+01 -0.514767D+01 -0.146110D+01  0.644689D+00
      3  -0.447840D+01  0.904740D+00 -0.146110D+01  0.552430D+00 -0.573332D+01
                71            72            73            74            75 
      1   0.644689D+00 -0.573332D+01  0.917614D+01  0.222369D+01 -0.789896D+00
      2  -0.506137D+00  0.707864D-01  0.222369D+01 -0.103835D+01  0.764994D+00
      3   0.707864D-01  0.289062D+01 -0.789896D+00  0.764994D+00 -0.402215D+01
                76            77            78            79            80 
      1   0.377987D+01 -0.648893D+00  0.628933D+00  0.485702D+01  0.100358D+01
      2  -0.648893D+00 -0.381307D+01 -0.355863D+01  0.100358D+01 -0.264183D+01
      3   0.628933D+00 -0.355863D+01  0.230122D+01 -0.515328D+01  0.137571D+01
                81            82            83            84            85 
      1  -0.515328D+01 -0.403141D+00 -0.110806D+00 -0.734611D+00 -0.997546D+00
      2   0.137571D+01 -0.110806D+00  0.216107D+00 -0.193680D+00 -0.109212D+00
      3   0.110819D+01 -0.734611D+00 -0.193680D+00  0.316099D+01  0.111705D+00
                86            87            88            89            90 
      1  -0.109212D+00  0.111705D+00 -0.206537D+01  0.116437D+00  0.110224D+01
      2   0.541073D-01 -0.852509D+00  0.116437D+00 -0.120815D+01  0.729939D+00
      3  -0.852509D+00 -0.567548D+00  0.110224D+01  0.729939D+00 -0.862706D+01
                91            92            93            94            95 
      1  -0.718684D-02 -0.124705D+01 -0.209218D+00 -0.213640D+01 -0.163761D+01
      2  -0.124705D+01 -0.101870D+01 -0.174492D+00 -0.163761D+01 -0.745240D+01
      3  -0.209218D+00 -0.174492D+00 -0.681944D+00 -0.932167D-01 -0.127006D+01
                96            97            98            99           100 
      1  -0.932167D-01 -0.114716D+00 -0.166432D+00 -0.989062D+00  0.185600D+00
      2  -0.127006D+01 -0.166432D+00 -0.142805D+01 -0.113502D+01 -0.812963D+00
      3  -0.150029D+01 -0.989062D+00 -0.113502D+01 -0.841889D+00  0.861925D+00
               101           102           103           104           105 
      1  -0.812963D+00  0.861925D+00 -0.120944D+01  0.179189D+00 -0.125284D+00
      2   0.896408D+00 -0.865293D+00  0.179189D+00 -0.196803D+01  0.235274D+01
      3  -0.865293D+00  0.240287D+01 -0.125284D+00  0.235274D+01 -0.304366D+01
               106           107           108           109           110 
      1   0.483341D+00 -0.341415D+00  0.496600D+00 -0.142224D+02 -0.171204D+01
      2  -0.341415D+00  0.194512D+01 -0.218131D+01 -0.171204D+01 -0.112866D+01
      3   0.496600D+00 -0.218131D+01  0.525792D+01  0.238953D+01  0.252284D+00
               111           112           113           114           115 
      1   0.238953D+01 -0.260807D+01 -0.156511D+01  0.529877D+00 -0.705832D+00
      2   0.252284D+00 -0.156511D+01 -0.439349D+00  0.575184D+00 -0.627174D-01
      3  -0.164212D+01  0.529877D+00  0.575184D+00 -0.671948D+00 -0.652190D+00
               116           117           118           119           120 
      1  -0.627174D-01 -0.652190D+00 -0.434399D+00  0.579704D+00  0.169545D+00
      2   0.567169D-01 -0.318108D+00  0.579704D+00  0.201768D+00  0.298356D-02
      3  -0.318108D+00  0.755429D-01  0.169545D+00  0.298356D-02  0.720258D+00
               121           122           123           124           125 
      1   0.184809D+01 -0.565196D+00 -0.823969D+00  0.234619D+00 -0.229038D+00
      2  -0.565196D+00  0.548861D+01  0.223206D+01 -0.229038D+00  0.154486D+01
      3  -0.823969D+00  0.223206D+01  0.247593D+01  0.113728D+00  0.108637D+01
               126           127           128           129           130 
      1   0.113728D+00 -0.364972D+01  0.228207D+01  0.876411D-01  0.281753D+01
      2   0.108637D+01  0.228207D+01 -0.250568D+01 -0.187594D+00 -0.296554D+01
      3   0.169943D+01  0.876411D-01 -0.187594D+00 -0.257957D+00 -0.215326D+00
               131           132           133           134           135 
      1  -0.296554D+01 -0.215326D+00  0.246893D+00 -0.343399D+00  0.110135D+00
      2   0.587238D+01  0.477645D+00 -0.343399D+00  0.523873D+00  0.696978D-01
      3   0.477645D+00  0.647738D+00  0.110135D+00  0.696978D-01  0.102648D+00
               136           137           138           139           140 
      1   0.225855D+01  0.271878D+01  0.335414D+00  0.243402D+01  0.412197D+01
      2   0.271878D+01  0.292791D+01  0.377705D+00  0.412197D+01  0.997542D+01
      3   0.335414D+00  0.377705D+00  0.309417D+00  0.542304D+00  0.118174D+01
               141           142           143           144           145 
      1   0.542304D+00  0.609172D+00  0.536157D+00  0.120638D+00  0.134907D+02
      2   0.118174D+01  0.536157D+00  0.124648D+01  0.106923D+00  0.149132D+01
      3   0.870863D+00  0.120638D+00  0.106923D+00  0.110049D+00  0.529781D+00
               146           147           148           149           150 
      1   0.149132D+01  0.529781D+00  0.144479D+01  0.180319D+01  0.259440D+00
      2   0.867901D+00  0.624092D-01  0.180319D+01  0.534262D+00  0.928678D-01
      3   0.624092D-01  0.738156D+00  0.259440D+00  0.928678D-01  0.115625D+00
               151           152           153           154           155 
      1   0.511796D+00  0.251498D+00 -0.143965D+00  0.532252D+01 -0.416736D+01
      2   0.251498D+00  0.340682D-01  0.150342D-01 -0.416736D+01  0.370580D+01
      3  -0.143965D+00  0.150342D-01  0.213670D-01 -0.329585D+00  0.258941D+00
               156           157           158           159           160 
      1  -0.329585D+00 -0.412201D+01  0.480542D+01  0.447982D+00 -0.345173D+00
      2   0.258941D+00  0.480542D+01 -0.685629D+01 -0.618470D+00  0.463380D+00
      3   0.477986D+00  0.447982D+00 -0.618470D+00 -0.686198D+00  0.117960D+00
               161           162           163           164           165 
      1   0.463380D+00  0.117960D+00 -0.145417D+01 -0.174777D+01 -0.236031D+00
      2  -0.790115D+00  0.107575D-01 -0.174777D+01 -0.230872D+01 -0.306657D+00
      3   0.107575D-01 -0.357293D-01 -0.236031D+00 -0.306657D+00 -0.139176D+00
               166           167           168           169           170 
      1  -0.168569D+01 -0.193850D+01 -0.300666D+00  0.930294D-01 -0.369331D+00
      2  -0.193850D+01 -0.912442D+01 -0.103829D+01 -0.369331D+00 -0.119851D+01
      3  -0.300666D+00 -0.103829D+01 -0.851033D+00  0.155195D+00 -0.188190D+00
               171           172           173           174           175 
      1   0.155195D+00 -0.198430D+01 -0.206964D-01 -0.484843D+00  0.176826D+01
      2  -0.188190D+00 -0.206964D-01 -0.134515D+01 -0.164685D+00 -0.110650D+01
      3  -0.880845D-01 -0.484843D+00 -0.164685D+00 -0.385982D+00  0.331739D+00
               176           177           178           179           180 
      1  -0.110650D+01  0.331739D+00  0.183911D+00 -0.248094D+00 -0.194405D+00
      2   0.681409D+01 -0.289443D+00 -0.248094D+00  0.114260D+01  0.697128D+00
      3  -0.289443D+00  0.164811D+01 -0.194405D+00  0.697128D+00  0.306296D-01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.150017D+01 -0.621210D+00  0.322858D+01 -0.169557D+01 -0.463938D+00
      2   0.434713D+00  0.104192D+01  0.277184D+01  0.149040D-01  0.241936D+01
      3   0.760251D+01 -0.106638D+02 -0.272748D+00  0.101134D+02  0.264775D+01
                 6             7             8             9            10 
      1  -0.235153D+01  0.699705D+01  0.396869D+01  0.435411D+00  0.183860D+01
      2  -0.778597D+01 -0.381849D+01 -0.107230D+02 -0.259506D+01  0.467656D-01
      3  -0.785821D+00  0.624625D+00 -0.180995D+01  0.582974D+01 -0.112640D+02
                11            12            13            14            15 
      1   0.765297D+00 -0.260298D+01  0.491860D+00  0.559554D+00 -0.316864D+01
      2   0.730956D+00 -0.183958D+01  0.246641D+01 -0.469840D+00 -0.110707D+01
      3  -0.351430D+01 -0.179038D+01  0.380669D+01  0.676290D+01 -0.163082D+00
                16            17            18            19            20 
      1  -0.528653D+01  0.514334D+00 -0.679752D+00 -0.228386D+01 -0.253578D+00
      2  -0.119534D+02 -0.235056D+01 -0.114911D+01 -0.274687D+01  0.109421D+00
      3   0.403734D+00 -0.779938D-01  0.607285D+01  0.760990D+01  0.815619D+01
                21            22            23            24            25 
      1  -0.260480D+00 -0.158598D+01 -0.220300D+01  0.110943D+01 -0.851908D+00
      2  -0.208125D+01 -0.109209D+01  0.106717D+01 -0.108863D+01 -0.204160D+02
      3   0.114332D+01  0.224221D+02  0.138720D+01  0.734721D+00 -0.180351D+01
                26            27            28            29            30 
      1   0.107821D+02  0.199060D+01  0.550576D+00 -0.596608D+00  0.356711D+01
      2   0.447577D+00 -0.273540D+01  0.182365D+00  0.230616D+00 -0.143529D+01
      3  -0.452789D+00  0.630781D+00 -0.440627D+01  0.199335D+01  0.315337D+00
                31            32            33            34            35 
      1   0.868659D+00  0.254814D+00 -0.157915D+01  0.750412D+01  0.330432D+01
      2   0.168094D+01  0.190083D+00  0.103411D+01 -0.122624D+02  0.651934D+00
      3  -0.417479D+01 -0.735450D+01 -0.854187D+00 -0.114499D+01  0.104822D+01
                36            37            38            39            40 
      1   0.378696D+00 -0.830021D+00  0.110908D+01 -0.257786D+01  0.784516D+00
      2   0.435326D+00  0.263944D+00  0.117608D+01 -0.269226D+00  0.373959D+00
      3  -0.679752D+01  0.774933D+01 -0.157186D+02 -0.135993D+01  0.395228D+01
                41            42            43            44            45 
      1   0.185641D+00 -0.428789D+01 -0.577650D+01  0.533220D+00 -0.916770D+00
      2  -0.185884D+01  0.678388D+01 -0.852652D+01  0.100322D+02  0.269922D+01
      3  -0.484670D+00  0.148225D+01  0.843299D+00  0.150746D+01 -0.481805D+01
                46            47            48            49            50 
      1   0.740475D+00 -0.254410D+00 -0.114868D+01  0.208054D+00 -0.117154D+01
      2  -0.457050D+00 -0.329405D+00  0.945325D+01 -0.335691D+01 -0.452654D+00
      3  -0.517324D+01 -0.707191D+01  0.348925D-01  0.119401D+02 -0.419340D+01
                51            52            53            54            55 
      1   0.350110D+01 -0.221594D+01  0.118675D+02  0.190062D+01 -0.507129D+00
      2   0.194334D+01  0.967296D+01  0.253216D+01  0.152205D+01  0.667856D+01
      3  -0.373804D-01  0.178607D+01  0.348468D+00 -0.197944D+01 -0.615015D+01
                56            57            58            59            60 
      1  -0.424097D+00  0.270149D+00  0.175372D+01  0.190525D+01 -0.271328D+01
      2   0.154800D+01 -0.471192D+01 -0.386851D+00 -0.610727D+01  0.296270D+01
      3   0.128351D+01 -0.135758D+01  0.125030D+02  0.147709D+02  0.730650D+01
                61            62            63            64            65 
      1   0.188209D+01  0.194598D+01 -0.124446D+01 -0.221683D+00  0.290005D+01
      2  -0.179873D+02  0.567447D+00  0.354319D+01 -0.251200D+01 -0.193023D+01
      3   0.172624D+00  0.665034D+01 -0.528244D+01  0.753822D+01 -0.102188D+02
                66            67            68            69            70 
      1   0.172016D+01 -0.471893D+00  0.896244D+01 -0.213457D+01 -0.544413D+00
      2   0.201844D+02  0.109685D+01  0.266840D+01 -0.380083D+00  0.973465D+01
      3   0.373935D+01 -0.268062D+01 -0.183068D+02 -0.411568D+01  0.168477D+01
                71            72            73            74            75 
      1   0.524063D+01 -0.326946D+01  0.292792D+01 -0.251048D+01  0.620805D+00
      2   0.125866D+01 -0.146155D+02 -0.131358D+02 -0.501473D+01  0.150839D+02
      3  -0.537505D+01 -0.112083D+01  0.608603D+01 -0.745660D+01  0.129954D+01
                76            77            78            79            80 
      1  -0.286018D+00 -0.724331D+01 -0.854427D+01 -0.145762D+01 -0.376490D+01
      2  -0.315194D+01  0.114775D+02 -0.683608D+01  0.982782D+01 -0.467570D+01
      3  -0.100329D+01 -0.128408D+02 -0.114409D+02 -0.640605D+00 -0.107467D+02
                81            82            83            84            85 
      1   0.448228D+01 -0.234361D+00 -0.165520D+01 -0.166680D+01 -0.761638D+00
      2   0.392698D+01  0.484069D+01  0.492289D-01 -0.889511D+01 -0.204005D+01
      3   0.662720D+01 -0.105946D+01  0.856976D+00 -0.318978D+00  0.127264D+01
                86            87            88            89            90 
      1  -0.127309D+00  0.201131D-01 -0.836138D+00  0.295747D+01  0.231210D+01
      2   0.160380D+01  0.140692D+01 -0.956938D+01 -0.213352D+01  0.242400D+02
      3   0.615880D+00 -0.116053D+01 -0.243837D+00 -0.172860D+01  0.394347D+01
                91            92            93            94            95 
      1  -0.230771D+00 -0.107039D+00 -0.800778D+00 -0.396170D+00  0.298577D-01
      2   0.271634D+00  0.273666D+00  0.212528D+01  0.170159D+00  0.287108D+01
      3  -0.387565D+01 -0.285269D+01 -0.282163D+00  0.266059D+01 -0.142174D+02
                96            97            98            99           100 
      1  -0.341223D+01 -0.463955D+00  0.115896D+01 -0.951590D+00 -0.138707D+01
      2   0.309382D+01  0.157999D+00  0.155607D+01  0.168196D+01 -0.425018D+01
      3  -0.317263D+01  0.219999D+00 -0.314462D+01 -0.908126D+00 -0.288106D+01
               101           102           103           104           105 
      1   0.229657D+01 -0.154537D+00  0.108804D+01 -0.294657D+01  0.115237D+01
      2   0.337342D+01 -0.621517D+01  0.322910D+01 -0.654099D+01  0.784109D+01
      3   0.247837D+01 -0.236693D+01  0.289536D+01 -0.450675D+01  0.582343D+01
               106           107           108           109           110 
      1  -0.172864D+00  0.462817D+01 -0.179713D+01 -0.173109D+01 -0.238905D+01
      2  -0.544533D+01  0.628194D+01 -0.136122D+02  0.106289D+02  0.158528D+01
      3  -0.143509D+01  0.487319D+01 -0.598564D+01 -0.826488D+00 -0.629732D+01
               111           112           113           114           115 
      1  -0.796782D+00 -0.186729D+01 -0.260958D-01 -0.246826D+00 -0.754056D-02
      2   0.569391D+01  0.195133D+01 -0.531841D-01  0.183725D+01  0.812449D+00
      3   0.205760D+00 -0.259028D+01 -0.715917D+00  0.141998D+01  0.181851D+00
               116           117           118           119           120 
      1   0.856105D+00 -0.480808D+00  0.177418D+01  0.829138D+00 -0.383677D+00
      2   0.662885D+00  0.763012D+00 -0.111139D+01 -0.929276D+00 -0.146129D+01
      3   0.134941D+01 -0.627854D+00  0.306712D+01  0.110396D+01 -0.553919D-01
               121           122           123           124           125 
      1   0.294351D+00  0.106961D+02  0.985789D+00 -0.389922D+00  0.421747D+01
      2  -0.148945D+01 -0.618943D+01 -0.535878D+01 -0.158630D+01 -0.227506D+01
      3   0.227675D+01  0.164284D+02  0.602125D+01 -0.681274D+00  0.425343D+01
               126           127           128           129           130 
      1   0.164031D+01  0.448498D+00 -0.476874D+00  0.231737D+01  0.274058D-01
      2  -0.412736D+01  0.127859D+01 -0.233499D+00  0.100960D+01 -0.739197D+00
      3   0.284208D+01 -0.111973D+02  0.402791D+01 -0.853829D-01  0.757361D+01
               131           132           133           134           135 
      1   0.124654D+00 -0.307235D+01  0.329339D-01  0.214914D+01 -0.395598D-01
      2   0.549808D+00 -0.168693D+01 -0.196105D+01  0.159735D+00 -0.283698D+00
      3  -0.600459D+01 -0.766713D+00 -0.693174D+00 -0.926315D+00 -0.190355D+00
               136           137           138           139           140 
      1  -0.300151D-01  0.851964D-01 -0.155229D+01 -0.974144D-01  0.273240D+00
      2   0.480722D-02  0.262950D+00  0.145321D+01  0.297894D+00  0.160718D+01
      3  -0.784389D+00 -0.279145D+01 -0.263214D+00 -0.167412D+01 -0.144549D+02
               141           142           143           144           145 
      1  -0.441865D+01  0.677170D+00  0.190593D+01 -0.331804D+00 -0.576265D-01
      2   0.268143D+01 -0.799438D+00 -0.404507D+00  0.288070D+00  0.521762D+00
      3  -0.156874D+01 -0.161718D-01 -0.185272D+01 -0.200578D+00 -0.896930D+00
               146           147           148           149           150 
      1   0.185909D+00 -0.681888D+00  0.135541D-01  0.528283D-01 -0.503320D+00
      2   0.168458D-01  0.585437D+01  0.876083D+00  0.190339D+00  0.821091D+00
      3  -0.533556D+01  0.533741D-02 -0.411518D+01 -0.174330D+01 -0.253619D+00
               151           152           153           154           155 
      1   0.600113D+00  0.494653D+00 -0.908422D-02  0.529764D-01 -0.279619D+00
      2  -0.338077D+01 -0.290724D+00  0.110256D+00 -0.170679D+00  0.114620D+00
      3  -0.872901D+00 -0.404283D+00  0.143538D+00  0.153458D+01 -0.501340D+01
               156           157           158           159           160 
      1   0.222560D+01  0.142714D+00  0.981220D-01 -0.333099D+01 -0.790171D+00
      2   0.284715D+01  0.595965D+00 -0.974244D+00 -0.308288D+01 -0.989434D+00
      3  -0.153164D+00 -0.366757D+01  0.113467D+02  0.926505D+00 -0.793084D+00
               161           162           163           164           165 
      1   0.159259D+01 -0.990859D-01  0.177640D+00  0.567083D-01 -0.134381D+01
      2   0.687365D+00 -0.208380D+00 -0.859538D+00 -0.648077D+00  0.400611D+00
      3   0.119914D+01 -0.290965D+00  0.621914D+01  0.391637D+01  0.571797D+00
               166           167           168           169           170 
      1  -0.948937D-01  0.419286D+00 -0.423683D+01  0.574385D+00  0.211409D+01
      2  -0.608529D+00 -0.137504D+01  0.714997D+00 -0.178739D+01 -0.160355D+00
      3   0.736473D+01  0.920292D+01  0.134526D+01  0.137868D+01  0.114474D+01
               171           172           173           174           175 
      1  -0.323543D+00  0.502923D+00  0.134022D+01  0.207831D-01  0.983196D+00
      2   0.753771D-01  0.691580D+00 -0.158935D+00  0.326809D-01  0.111417D+00
      3  -0.646044D-01  0.129014D+01 -0.216331D+01 -0.278433D+00  0.164543D+01
               176           177           178           179           180 
      1  -0.106489D+02 -0.276962D+01  0.343622D+00 -0.118522D+01 -0.172800D+01
      2  -0.623231D+00 -0.379419D+01 -0.243574D+00 -0.164151D+01 -0.558821D+00
      3   0.214774D+02 -0.140621D+00  0.102898D+01  0.414460D+01  0.217673D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.366753D+01  0.254143D+02  0.280665D+01 -0.323830D+02  0.382833D+01
      2  -0.125014D+01 -0.158449D+02  0.533984D+00  0.320086D+02 -0.911262D+01
      3   0.491767D+01 -0.956936D+01 -0.334064D+01  0.374465D+00  0.528429D+01
      4   0.128479D+02  0.182877D+01  0.416647D+00 -0.250814D+01  0.112007D+02
      5   0.136460D+01  0.706387D+00  0.518035D+01 -0.333100D+01  0.546173D+01
      6  -0.729381D+00 -0.830386D+00 -0.915284D+01  0.409340D+01 -0.411311D+01
                 6             7             8             9            10 
      1   0.428845D+00 -0.462130D+01  0.200626D+01  0.114585D+01  0.160393D+02
      2  -0.685417D+00  0.586645D+01 -0.457916D+01 -0.824119D+01 -0.946520D+01
      3   0.256571D+00 -0.124516D+01  0.257290D+01  0.709534D+01 -0.657415D+01
      4   0.519771D+01 -0.241927D+01  0.495871D+01 -0.172585D+02  0.470294D-01
      5  -0.171849D+02  0.216208D+02 -0.168584D+02 -0.560006D+01 -0.131738D+01
      6   0.509784D+01 -0.800685D+01  0.137863D+02 -0.113270D+00  0.460515D+00
                11            12            13            14            15 
      1  -0.956399D+01 -0.190533D+00  0.322997D+01  0.942581D+01  0.235619D+01
      2   0.654354D+01 -0.769892D+00 -0.132416D+02 -0.168690D+02 -0.522136D+01
      3   0.302045D+01  0.960424D+00  0.100117D+02  0.744322D+01  0.286518D+01
      4  -0.185874D+02 -0.136677D+01  0.919099D+01 -0.161336D+02 -0.142630D+01
      5  -0.157332D+01 -0.556015D+01  0.193082D+01 -0.148572D+01  0.869679D+00
      6  -0.892788D+00  0.670459D+01 -0.350757D+01 -0.623119D+01  0.721841D+01
                16            17            18            19            20 
      1   0.130454D+01  0.178456D+01 -0.155072D+02 -0.185159D+02 -0.638879D+01
      2  -0.345853D+01 -0.622711D+01  0.252748D+01  0.256777D+01  0.462396D+01
      3   0.215399D+01  0.444255D+01  0.129797D+02  0.159482D+02  0.176483D+01
      4  -0.152826D+01 -0.174628D+01 -0.732242D+01 -0.514391D+01  0.264177D+01
      5   0.792192D+01 -0.578615D+01 -0.143277D+01  0.124742D+01 -0.120026D+01
      6   0.129740D+01  0.164375D+02  0.300546D+01 -0.316812D+01  0.333215D-01
                21            22            23            24            25 
      1  -0.777060D+00 -0.390422D+01 -0.993312D+01 -0.801112D+00 -0.712046D+00
      2  -0.151451D+01 -0.917879D+00  0.191110D+02  0.435188D+01 -0.227873D+01
      3   0.229157D+01  0.482210D+01 -0.917786D+01 -0.355077D+01  0.299078D+01
      4  -0.102684D+01 -0.100633D+02  0.411112D+00  0.602221D+00 -0.334838D+01
      5   0.497549D+01 -0.553004D+01  0.173561D+00 -0.252999D+01  0.100941D+02
      6   0.224045D+01 -0.177777D+01  0.297086D+01 -0.405007D+01  0.263420D+01
                26            27            28            29            30 
      1  -0.195662D+01 -0.484199D+01 -0.132271D+01  0.173884D+02  0.184698D+01
      2   0.304504D+01 -0.660695D+01  0.100527D+01 -0.117095D+02  0.171726D+01
      3  -0.108841D+01  0.114489D+02  0.317445D+00 -0.567891D+01 -0.356424D+01
      4   0.192505D+01  0.237430D+00  0.121081D+02 -0.142255D+02 -0.624670D+00
      5  -0.162441D+00 -0.133847D+01 -0.217321D+01 -0.102209D+01 -0.362564D+01
      6   0.555996D+01 -0.149487D+01  0.116942D+01 -0.248946D+00 -0.857281D+01
                31            32            33            34            35 
      1  -0.650196D+01  0.426158D+01  0.235713D+01 -0.250173D+01  0.229452D+01
      2   0.173357D+02 -0.887500D+01 -0.134960D+01  0.544910D+01 -0.355546D+01
      3  -0.108338D+02  0.461342D+01 -0.100753D+01 -0.294737D+01  0.126094D+01
      4   0.484459D+01  0.144966D+02  0.218686D+01  0.207875D+01  0.566607D+00
      5   0.480801D-03  0.220313D+01 -0.260065D+01  0.895092D+00  0.157158D+01
      6   0.536352D+01 -0.266695D+01  0.489338D+01 -0.662362D+01  0.108417D+02
                36            37            38            39            40 
      1  -0.142982D+02  0.108512D+02 -0.216749D+02 -0.158139D+01  0.230748D+02
      2   0.241528D+01 -0.120008D+02  0.132695D+02 -0.477718D+00 -0.214618D+02
      3   0.118829D+02  0.114959D+01  0.840541D+01  0.205910D+01 -0.161302D+01
      4   0.317937D+01 -0.180345D+02 -0.506239D+01 -0.154595D+01  0.127347D+02
      5  -0.725990D+00  0.693844D+00 -0.114583D+01 -0.216844D+01 -0.179339D+01
      6   0.119287D+00 -0.252024D+01 -0.633648D+00  0.549682D+01 -0.308449D+01
                41            42            43            44            45 
      1   0.121108D+02  0.168021D+01  0.237091D+01  0.540835D+00 -0.716694D+01
      2  -0.193220D+02 -0.438188D+01 -0.418436D+01 -0.536271D+01 -0.241654D+01
      3   0.721117D+01  0.270168D+01  0.181345D+01  0.482187D+01  0.958348D+01
      4  -0.588080D+01 -0.431077D+01 -0.219284D+01 -0.562333D+01  0.162437D+02
      5  -0.381818D+01  0.139323D+02  0.136075D+02  0.162435D+02  0.527930D+01
      6  -0.692652D+01  0.927481D+01  0.704965D+01  0.174725D+02  0.231287D+01
                46            47            48            49            50 
      1  -0.131548D+02 -0.576505D+01 -0.279486D+01  0.116325D+02 -0.223115D+02
      2   0.877535D+01  0.417770D+01  0.101336D+01 -0.115948D+02  0.207145D+02
      3   0.437948D+01  0.158735D+01  0.178150D+01 -0.376930D-01  0.159709D+01
      4  -0.146135D+01  0.245850D+02  0.297563D+00 -0.222036D+02 -0.138333D+01
      5  -0.422382D+01 -0.212564D+00  0.218547D+02 -0.592437D+01 -0.183610D+01
      6   0.855166D+00  0.848359D-01  0.309530D+01 -0.153746D+01  0.296794D+01
                51            52            53            54            55 
      1  -0.405463D+01 -0.133827D+01 -0.443978D+01  0.159317D+02  0.141926D+02
      2   0.555245D+01 -0.101267D+01  0.327182D+01 -0.191903D+02 -0.418070D+01
      3  -0.149782D+01  0.235094D+01  0.116796D+01  0.325863D+01 -0.100119D+02
      4  -0.158023D+01 -0.727557D+01 -0.828794D+00  0.433921D+01  0.522739D+01
      5   0.468138D+01  0.404072D+02  0.418299D+01  0.363800D+01  0.492996D+01
      6  -0.637755D+01  0.266619D+01  0.594174D+01 -0.251762D+01 -0.461473D+00
                56            57            58            59            60 
      1  -0.120485D+01  0.414676D+00  0.208244D+02  0.718192D+01  0.671207D+01
      2   0.213164D+00 -0.383395D+01 -0.201966D+02 -0.160497D+02 -0.975656D+01
      3   0.991689D+00  0.341928D+01 -0.627765D+00  0.886774D+01  0.304449D+01
      4  -0.853938D+01  0.261986D+01 -0.699721D+01 -0.283181D+02 -0.122154D+02
      5   0.196598D+01 -0.196272D+02  0.164219D+02 -0.102108D+02  0.118091D+02
      6  -0.144656D+01  0.223264D+01 -0.470664D+01 -0.490854D+01  0.133637D+01
                61            62            63            64            65 
      1  -0.731352D+01  0.343414D+01 -0.141925D+02  0.184884D+02  0.494037D+00
      2  -0.134307D+01 -0.352593D+01  0.159128D+02 -0.852971D+01 -0.220979D+01
      3   0.865660D+01  0.917904D-01 -0.172025D+01 -0.995873D+01  0.171575D+01
      4   0.914289D+01 -0.112065D+02  0.331332D+01 -0.730482D+01  0.122819D+02
      5  -0.497088D+02  0.210710D+01  0.663739D+01  0.505032D+01 -0.503634D+01
      6   0.119969D+01 -0.468542D+01  0.140203D+01 -0.425811D+01  0.452127D+01
                66            67            68            69            70 
      1  -0.912853D+01 -0.125945D+02  0.997810D+01 -0.369000D+01 -0.508817D+00
      2  -0.577064D+01  0.107976D+02 -0.140751D+02  0.102862D+01 -0.107082D+02
      3   0.148992D+02  0.179684D+01  0.409701D+01  0.266138D+01  0.112170D+02
      4  -0.393483D+01  0.167595D+02  0.241579D+02  0.972318D+01 -0.473389D+01
      5   0.273270D+02 -0.975674D+01  0.113236D+02 -0.514978D+01  0.392730D+02
      6  -0.400075D+01  0.777472D+01  0.784247D+01  0.590277D+01 -0.389857D+01
                71            72            73            74            75 
      1   0.131436D+01  0.288217D+02 -0.553096D+02 -0.140821D+02  0.156701D+02
      2  -0.323192D+01 -0.108410D+02  0.259239D+02  0.493580D+01 -0.511873D+00
      3   0.191756D+01 -0.179807D+02  0.293857D+02  0.914633D+01 -0.151583D+02
      4   0.899390D+01 -0.430226D+01 -0.190443D+02  0.606668D+01 -0.137214D+01
      5  -0.990002D+00  0.688831D+01  0.203152D+02  0.185161D+01  0.162884D+02
      6   0.667157D+01 -0.141623D+01  0.750529D+01 -0.535316D+01  0.276120D+01
                76            77            78            79            80 
      1  -0.167072D+02  0.127926D+02 -0.564305D+01  0.114374D+00 -0.866003D+01
      2   0.107834D+02 -0.204165D+01 -0.119693D+01  0.122242D+02  0.130224D+00
      3   0.592381D+01 -0.107509D+02  0.683999D+01 -0.123386D+02  0.852980D+01
      4   0.262768D+01  0.211104D+02  0.159649D+02 -0.406895D+01  0.138698D+02
      5   0.237913D+01  0.120842D+02 -0.626551D+01  0.286103D+02 -0.333325D+01
      6  -0.100881D+01 -0.101291D+02 -0.126672D+02  0.260254D+01 -0.947178D+01
                81            82            83            84            85 
      1   0.194499D+02  0.410198D+01 -0.942789D-01  0.130196D+02  0.438322D+01
      2  -0.152596D+02 -0.382435D+01  0.480913D+00  0.367240D+01 -0.220259D+01
      3  -0.419025D+01 -0.277631D+00 -0.386635D+00 -0.166920D+02 -0.218063D+01
      4  -0.517972D+01  0.340014D+00 -0.155394D+01 -0.551707D+00  0.140788D+01
      5  -0.151472D+02  0.249922D+01  0.907224D+00 -0.687419D+01  0.224700D+00
      6   0.854896D+01  0.625930D+00 -0.143427D+01  0.104922D+01 -0.852873D-01
                86            87            88            89            90 
      1  -0.378820D+01 -0.901933D+00  0.127862D+02  0.230596D+01 -0.308795D+02
      2   0.747721D+00 -0.168249D+00 -0.214146D+01 -0.610672D+00 -0.105938D+02
      3   0.304048D+01  0.107018D+01 -0.106447D+02 -0.169529D+01  0.414732D+02
      4  -0.932170D+00  0.276006D+01 -0.256346D+01  0.314828D+01 -0.571137D+00
      5   0.204395D+01  0.936805D+00  0.186327D+01 -0.259604D+01  0.245042D+02
      6  -0.543565D+00  0.635436D+01  0.766872D+00  0.507624D+01 -0.568304D+01
                91            92            93            94            95 
      1   0.152003D+01  0.341601D+01  0.123575D+01 -0.102042D+00 -0.145103D+02
      2   0.296464D+01  0.122300D-01  0.179891D+00  0.453434D+01  0.278536D+02
      3  -0.448467D+01 -0.342824D+01 -0.141564D+01 -0.443230D+01 -0.133434D+02
      4   0.752994D+01  0.109497D+02  0.181559D+01  0.109975D+02  0.320894D+02
      5   0.153960D+01  0.180211D+01  0.527347D+01  0.670195D+00  0.477605D+01
      6   0.218976D+01  0.867068D+00  0.192757D+00  0.109036D+01  0.800565D+01
                96            97            98            99           100 
      1  -0.252330D+01  0.103278D+01 -0.256627D+01 -0.347422D+01 -0.206058D+01
      2   0.404337D+01  0.601674D+00  0.252342D+01  0.213789D+01 -0.673098D+00
      3  -0.152007D+01 -0.163445D+01  0.428486D-01  0.133633D+01  0.273368D+01
      4   0.558770D+01  0.165447D+01  0.593925D+01  0.465934D+01  0.219535D+01
      5   0.658620D+01  0.629080D+01  0.430683D+01  0.287079D+01 -0.398167D+00
      6   0.552330D+01  0.142062D+01  0.873762D+01  0.356754D+01 -0.358371D+01
               101           102           103           104           105 
      1   0.681469D+01 -0.110373D+02  0.681369D+01 -0.116646D+02  0.118367D+02
      2  -0.229098D+01 -0.258035D+00 -0.350940D+01  0.489367D+01  0.766450D-01
      3  -0.452371D+01  0.112953D+02 -0.330429D+01  0.677091D+01 -0.119134D+02
      4  -0.224006D+01  0.178601D+01  0.181521D+01  0.691358D+01 -0.934739D+01
      5  -0.923860D-01 -0.349518D+01 -0.369687D+01 -0.694774D+01  0.985109D+01
      6   0.483808D+01 -0.503242D+01  0.933440D+00 -0.105691D+02  0.134568D+02
               106           107           108           109           110 
      1  -0.577179D+01  0.103467D+02 -0.222094D+02  0.842195D+02  0.966687D+01
      2   0.514139D+00  0.595472D+00 -0.625788D+01 -0.450591D+02 -0.375977D+01
      3   0.525765D+01 -0.109421D+02  0.284673D+02 -0.391603D+02 -0.590710D+01
      4   0.320263D+00 -0.823432D+01  0.835167D+01  0.169825D+02  0.124690D+02
      5   0.439786D+01  0.671344D+01 -0.156247D+02 -0.352228D+02 -0.439725D+01
      6  -0.168831D+01  0.115534D+02 -0.143027D+02 -0.564912D+01 -0.404802D+01
               111           112           113           114           115 
      1  -0.925226D+01  0.120815D+02  0.673866D+01 -0.154099D+00  0.333329D+01
      2   0.900272D+01 -0.491112D+01 -0.243749D+01  0.142988D+01  0.828249D+00
      3   0.249535D+00 -0.717033D+01 -0.430117D+01 -0.127578D+01 -0.416154D+01
      4  -0.262071D+01  0.148033D+02  0.464079D+01 -0.346286D+01  0.597413D+00
      5   0.163931D+02 -0.653023D+01 -0.465792D+01  0.395703D+01  0.828558D+01
      6   0.169045D+01 -0.369283D+01 -0.916678D+00  0.312140D+01  0.906536D+00
               116           117           118           119           120 
      1   0.109074D+01  0.382380D+01  0.460042D+01 -0.250511D+01 -0.435965D+01
      2   0.493749D+00 -0.329950D+01 -0.143363D+01  0.167061D+01  0.369751D+00
      3  -0.158448D+01 -0.524299D+00 -0.316679D+01  0.834503D+00  0.398990D+01
      4  -0.858051D+00  0.235044D+01 -0.175366D+01  0.128169D+01  0.704727D+00
      5   0.187038D+01 -0.243199D+01 -0.242987D+01  0.179704D+01 -0.906463D+00
      6   0.195516D+01 -0.987666D+00  0.179814D+01  0.920202D+00  0.204252D+00
               121           122           123           124           125 
      1  -0.554557D+01 -0.901867D+01 -0.428482D+01 -0.177907D+01 -0.342868D+01
      2   0.337853D+01  0.789551D+01 -0.167303D+01  0.103160D+01 -0.716148D+00
      3   0.216704D+01  0.112316D+01  0.595785D+01  0.747467D+00  0.414483D+01
      4   0.628906D+01 -0.278765D+02 -0.111634D+02  0.119962D+01 -0.759946D+01
      5   0.775718D+01 -0.949683D+01 -0.118748D+02  0.197236D+01 -0.480900D+01
      6  -0.191957D+01  0.192677D+02  0.112804D+02 -0.977898D+00  0.987663D+01
               126           127           128           129           130 
      1  -0.694760D+01 -0.428650D+01  0.690753D+01  0.700231D+00  0.801915D+01
      2  -0.507812D+00  0.588514D+01 -0.102609D+02 -0.828395D+00 -0.112783D+02
      3   0.745541D+01 -0.159864D+01  0.335338D+01  0.128164D+00  0.325918D+01
      4  -0.514575D+01 -0.861059D+01  0.870538D+01  0.602326D+00  0.858708D+01
      5  -0.631204D+01 -0.193607D+00  0.614737D+00  0.233597D+01  0.199853D+00
      6   0.541681D+01  0.463918D+00 -0.797038D+00 -0.165624D+01 -0.125888D+01
               131           132           133           134           135 
      1  -0.214516D+02 -0.223612D+01  0.897567D+00 -0.157756D+01 -0.310286D+00
      2   0.292572D+02  0.191597D+01 -0.133660D+01  0.202449D+01  0.103692D+01
      3  -0.780559D+01  0.320157D+00  0.439031D+00 -0.446933D+00 -0.726633D+00
      4  -0.932753D+01 -0.581352D+00  0.106342D+01 -0.480492D+00 -0.175950D+01
      5  -0.831839D+00 -0.173575D+01  0.571623D+00 -0.280007D+00 -0.515262D+00
      6   0.271353D+01  0.470162D+01  0.483706D-01  0.149744D+01  0.812681D+00
               136           137           138           139           140 
      1   0.530821D+01  0.460159D+01  0.503393D+00 -0.178759D+01 -0.175421D+02
      2   0.417571D+01  0.610702D+01  0.334219D+00  0.137111D+02  0.424132D+02
      3  -0.948392D+01 -0.107086D+02 -0.837613D+00 -0.119235D+02 -0.248712D+02
      4   0.191756D+02  0.245525D+02  0.281128D+01  0.259198D+02  0.499623D+02
      5   0.238074D+01  0.270929D+01  0.386013D+01  0.303114D+01  0.536792D+01
      6   0.183908D+01  0.222967D+01  0.207236D+01  0.328951D+01  0.770517D+01
               141           142           143           144           145 
      1  -0.216105D+01 -0.213151D+00 -0.180425D+01 -0.121904D+01  0.102230D+03
      2   0.361939D+01  0.159262D+01  0.447499D+01  0.231226D+01 -0.572565D+02
      3  -0.145834D+01 -0.137947D+01 -0.267074D+01 -0.109322D+01 -0.449731D+02
      4   0.574678D+01  0.328013D+01  0.637898D+01  0.186956D+01  0.162964D+02
      5   0.435226D+01  0.796278D+00  0.134458D+01  0.853052D+00  0.516862D+01
      6   0.732401D+01  0.145046D+01  0.260091D+01  0.154514D+01 -0.971811D+00
               146           147           148           149           150 
      1   0.102985D+02  0.344058D+01  0.908812D+01  0.103192D+02  0.110402D+01
      2  -0.507308D+01 -0.227884D+01 -0.380931D+01 -0.468865D+01 -0.921047D+00
      3  -0.522545D+01 -0.116174D+01 -0.527881D+01 -0.563054D+01 -0.182973D+00
      4   0.987082D+01  0.531947D+00  0.174084D+02  0.525338D+01  0.900891D+00
      5   0.522963D+00  0.907980D+01  0.227872D+01  0.840973D+00  0.115986D+01
      6   0.138014D+00  0.745274D+00  0.501321D+00 -0.214559D-01  0.182768D+01
               151           152           153           154           155 
      1   0.423174D+01  0.117815D+01  0.238506D+01  0.232195D+02 -0.147392D+02
      2  -0.234682D+01 -0.596520D+00 -0.125399D+01 -0.366923D+01 -0.108416D+01
      3  -0.188492D+01 -0.581635D+00 -0.113107D+01 -0.195503D+02  0.158234D+02
      4   0.255709D+01  0.945441D+00  0.417465D+00 -0.355197D+02  0.320875D+02
      5   0.904253D+00  0.154850D+00  0.519531D+00 -0.366587D+01  0.263204D+01
      6   0.362747D-01  0.511207D+00  0.281540D+00  0.142923D+01 -0.116755D+01
               156           157           158           159           160 
      1  -0.143586D+01 -0.935365D+01  0.386115D+01  0.378388D+00 -0.387265D+00
      2   0.445697D+00 -0.777625D+01  0.178899D+02  0.507540D+00 -0.962413D+00
      3   0.990161D+00  0.171299D+02 -0.217510D+02 -0.885928D+00  0.134968D+01
      4   0.230346D+01  0.361914D+02 -0.463108D+02 -0.404877D+01  0.363096D+01
      5   0.556863D+01  0.387822D+01 -0.442383D+01 -0.450153D+01  0.146065D+01
      6  -0.276791D+01 -0.243982D+01  0.325275D+01  0.534559D+01 -0.118113D+01
               161           162           163           164           165 
      1   0.907433D-02  0.464551D-01 -0.533220D+01 -0.919575D+01 -0.130418D+01
      2   0.175311D+01  0.103283D+01  0.701535D+01  0.115983D+02  0.107021D+01
      3  -0.176218D+01 -0.107929D+01 -0.168315D+01 -0.240253D+01  0.233968D+00
      4  -0.418269D+01 -0.162292D+01  0.361985D+01  0.775831D+01  0.732888D+00
      5  -0.153173D+01 -0.599779D+00  0.469247D+00  0.511888D+00  0.160480D+01
      6   0.168720D+01  0.900491D+00  0.125150D+01  0.207634D+01  0.169446D+01
               166           167           168           169           170 
      1  -0.721198D+01 -0.357532D+02 -0.424586D+01 -0.140225D+01 -0.472393D+01
      2   0.893977D+01  0.488703D+02  0.432021D+01  0.187712D+01  0.605664D+01
      3  -0.172779D+01 -0.131171D+02 -0.743566D-01 -0.474862D+00 -0.133270D+01
      4   0.510817D+01 -0.952240D+00 -0.427015D+00  0.797565D+00  0.145736D+00
      5   0.828010D+00 -0.755486D+00  0.309096D+00 -0.165848D+00  0.557998D+00
      6   0.141442D+01  0.753714D+01  0.683105D+01  0.303314D+00  0.234242D+01
               171           172           173           174           175 
      1  -0.154617D+01  0.694696D+01 -0.271768D+00  0.382785D+01 -0.281359D+01
      2   0.247836D+01 -0.500460D+01 -0.115767D+01 -0.289777D+01 -0.107326D+01
      3  -0.932190D+00 -0.194236D+01  0.142943D+01 -0.930085D+00  0.388685D+01
      4   0.118454D+01  0.139927D+00  0.569494D+01  0.958586D+00  0.813794D+01
      5   0.172649D+00  0.516911D+01  0.119604D+01  0.251911D+01 -0.303769D+01
      6   0.151827D+01  0.175401D+01  0.114358D+01  0.100319D+01  0.176163D+01
               176           177           178           179           180 
      1  -0.823492D+01  0.215088D+01 -0.324286D+00  0.116033D+01 -0.234711D+01
      2   0.212448D+02  0.189116D+01 -0.101442D+01  0.234516D+01  0.127912D+01
      3  -0.130099D+02 -0.404204D+01  0.133871D+01 -0.350549D+01  0.106798D+01
      4  -0.334841D+02  0.109644D+01  0.180804D+01 -0.611184D+01 -0.298383D+01
      5   0.189352D+00 -0.660188D+01  0.195293D+01 -0.306913D+01 -0.431689D+00
      6  -0.126998D+02  0.360863D+01 -0.368689D+00  0.217280D+01 -0.378422D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.390801D+00      0.993318D+00      0.331335D+01
   x          0.360882D+00      0.917270D+00      0.305968D+01
   y          0.147143D+00      0.374000D+00      0.124753D+01
   z          0.289654D-01      0.736228D-01      0.245579D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993223D+02      0.147180D+02      0.163760D+02
   aniso      0.479397D+02      0.710394D+01      0.790420D+01
   xx         0.125906D+03      0.186573D+02      0.207590D+02
   yx        -0.533706D+00     -0.790871D-01     -0.879962D-01
   yy         0.101148D+03      0.149886D+02      0.166770D+02
   zx         0.422352D+00      0.625861D-01      0.696364D-01
   zy         0.265997D+01      0.394167D+00      0.438570D+00
   zz         0.709135D+02      0.105083D+02      0.116920D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.110540D+03      0.163803D+02      0.182256D+02
   aniso      0.530956D+02      0.786795D+01      0.875428D+01
   xx         0.141051D+03      0.209016D+02      0.232562D+02
   yx        -0.362931D+00     -0.537808D-01     -0.598392D-01
   yy         0.110565D+03      0.163841D+02      0.182297D+02
   zx         0.120320D+01      0.178296D+00      0.198381D+00
   zy         0.253728D+01      0.375986D+00      0.418340D+00
   zz         0.800036D+02      0.118553D+02      0.131908D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.65449704         -2.97307924          2.90914220
     6          1.34761485         -2.39847818          0.36234366
     6          0.17708052         -0.16648001         -0.39438172
     6         -0.68420525          1.48842862          1.46956773
     6         -0.38526242          0.92692898          4.01368158
     6          0.78751187         -1.31047979          4.74431314
     6         -0.16572984          0.42570219         -3.18565930
     7          0.83987739          2.88108287         -3.98797758
     6         -2.93996066          0.25136088         -3.96403369
     1          2.63133418          3.11106598         -3.34898154
     1          0.88121588         -1.00928186         -4.24276135
     1         -3.71483254         -1.60132798         -3.50444705
     1         -3.12991415          0.58103997         -5.98901162
     1         -4.06529182          1.66701872         -2.96561715
     1         -1.59500067          3.24169522          0.93110753
     1         -1.06735647          2.23461291          5.43188537
     1          1.02573192         -1.74753345          6.72804857
     1          2.57595635         -4.71597170          3.45629751
     1          2.03153597         -3.70193384         -1.06243110
     1         -0.20178215          4.30960981         -3.24808267

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.390801D+00      0.993318D+00      0.331335D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.390801D+00      0.993318D+00      0.331335D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.993223D+02      0.147180D+02      0.163760D+02
   aniso      0.479397D+02      0.710394D+01      0.790420D+01
   xx         0.779180D+02      0.115463D+02      0.128469D+02
   yx        -0.140298D+02     -0.207899D+01     -0.231319D+01
   yy         0.981200D+02      0.145399D+02      0.161778D+02
   zx         0.555704D+01      0.823468D+00      0.916232D+00
   zy        -0.728247D+01     -0.107915D+01     -0.120072D+01
   zz         0.121929D+03      0.180680D+02      0.201034D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.110540D+03      0.163803D+02      0.182256D+02
   aniso      0.530956D+02      0.786795D+01      0.875428D+01
   xx         0.869063D+02      0.128782D+02      0.143289D+02
   yx        -0.142210D+02     -0.210734D+01     -0.234473D+01
   yy         0.108266D+03      0.160433D+02      0.178506D+02
   zx         0.602346D+01      0.892585D+00      0.993135D+00
   zy        -0.915018D+01     -0.135592D+01     -0.150866D+01
   zz         0.136448D+03      0.202195D+02      0.224972D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U22-12\Freq\RB3LYP\Gen\C8H11N1\PIERPA\12-Aug-2021\0\\#P B
 3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoSymm,
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 HE THAT RISETH LATE MUST TROT ALL DAY.

                  -- BENJAMIN FRANKLIN
 Job cpu time:       0 days  2 hours 34 minutes 37.5 seconds.
 Elapsed time:       0 days  0 hours 19 minutes 24.8 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 20:03:25 2021.
